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104-49-4价格

104-49-4

104-49-4结构式
104-49-4结构式

化源商城直购

中文名 对苯二异氰酸酯
英文名 1,4-Phenylene diisocyanate
中文别名 1-丙基哌嗪二氢溴酸
1,4-苯二异氰酸
对苯二异酸酯(PPDI)
对亚苯基二异氰酸酯
1,4-苯二异氰酸酯
(+)-2-(2-氟-4-联苯基)-丙酸
英文别名 1,4-Phenylene Diisocyanate
Benzene, 1,4-diisocyanato-
Benzene 1,4-Diisocyanate
EINECS 203-207-6
MFCD00002025
1,4-Diisocyanatobenzene
密度 1.2±0.1 g/cm3
沸点 236.2±23.0 °C at 760 mmHg
熔点 96-99 °C(lit.)
分子式 C8H4N2O2
分子量 160.130
闪点 92.4±28.0 °C
精确质量 160.027283
PSA 58.86000
LogP 2.85
外观性状 白色至淡黄色晶体
蒸汽压 0.0±0.5 mmHg at 25°C
折射率 1.567
储存条件 0-10°C;存放于惰性气体之中;避免湿气 (分解),加热
稳定性 Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.
分子结构

1、 摩尔折射率:44.67

2、 摩尔体积(cm3/mol):136.7

3、 等张比容(90.2K):359.2

4、 表面张力(dyne/cm):47.6

5、 介电常数:

6、 偶极距(10-24cm3):

7、 极化率:17.71

计算化学

1.疏水参数计算参考值(XlogP):3.5

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积58.9

7.重原子数量:12

8.表面电荷:0

9.复杂度:205

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1. 性状:未确定

2. 密度(g/mL,20℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):96-99

5. 沸点(ºC,常压):260

6. 沸点(ºC, kPa):未确定

7. 折射率:未确定

8. 闪点(ºC):>110

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC): 未确定

11. 蒸气压(mmHg,20ºC):<0.01

12. 饱和蒸气压(kPa, ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:未确定


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 1,4-Phenylene diisocyanate
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 104-49-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Skin irritation (Category 2), H315
Serious eye damage (Category 1), H318
Respiratory sensitisation (Category 1), H334
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR20/21/22, R42
Xi IrritantR38, R41
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H302 + H312 + H332Harmful if swallowed, in contact with skin or if inhaled
H315Causes skin irritation.
H318Causes serious eye damage.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statement(s)
P261Avoid breathing dust.
P280Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
Other hazards
Lachrymator.

SECTION 3: Composition/information on ingredients
Substances
Formula: C8H4N2O2
Molecular Weight: 160,13 g/mol
CAS-No.: 104-49-4
EC-No.: 203-207-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
p-Phenylene diisocyanate
CAS-No.104-49-4Acute Tox. 4; Skin Irrit. 2; Eye<= 100 %
EC-No.203-207-6Dam. 1; Resp. Sens. 1; H302
+ H312 + H332, H315, H318,
H334
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
p-Phenylene diisocyanate
CAS-No.104-49-4Xn, R20/21/22 - R38 - R41 - <= 100 %
EC-No.203-207-6R42
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Air and moisture sensitive. Handle and store under inert gas.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 96 - 99 °C - lit.
point
f) Initial boiling point and 260 °C - lit.
boiling range
g) Flash point> 113 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressure< 0,01 hPa at 20 °C
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Air
Incompatible materials
Strong oxidizing agents, Amines, Strong bases, Strong acids
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
Skin - rabbit
Result: Severe skin irritation
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: CZ6150000
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, spasm, inflammation and edema of
the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, Material is
extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin.,
Headache, Nausea, Vomiting

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: -IMDG: -IATA: 3335
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Aviation regulated solid, n.o.s.
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: 9
Packaging group
ADR/RID: -IMDG: -IATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox.Acute toxicity
Eye Dam.Serious eye damage
H302Harmful if swallowed.
H302 + H312 +Harmful if swallowed, in contact with skin or if inhaled
H332
H312Harmful in contact with skin.
H315Causes skin irritation.
H318Causes serious eye damage.
H332Harmful if inhaled.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Full text of R-phrases referred to under sections 2 and 3
XnHarmful
R20/21/22Harmful by inhalation, in contact with skin and if swallowed.
R38Irritating to skin.
R41Risk of serious damage to eyes.
R42May cause sensitisation by inhalation.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒理学数据:

1、皮肤/眼睛刺激性:标准德来塞实验:兔子皮肤接触,500mgREACTION SEVERITY,强烈反应; 2、急性毒性:大鼠吸入LCLo:335mg/m3/24H; 3、其他多剂量毒性:大鼠吸入TCLo:77100μg/kg/7H/5D-I; 小鼠吸入TCLo:77100μg/kg/7H/5D-I; 猫吸入TCLo:77100μg/kg/7H/5D-I; 兔子吸入TCLo:77100μg/kg/7H/5D-I; 豚鼠吸入TCLo:77100μg/kg/7H/5D-I;

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ6150000
CHEMICAL NAME :
Benzene, 1,4-diisocyanato-
CAS REGISTRY NUMBER :
104-49-4
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H4-N2-O2
MOLECULAR WEIGHT :
160.14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530176 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
335 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0543429 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
77100 ug/kg/7H/5D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
77100 ug/kg/7H/5D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
77100 ug/kg/7H/5D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
77100 ug/kg/7H/5D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
77100 ug/kg/7H/5D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223

符号 GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
信号词 Danger
危害声明 H302 + H312 + H332-H315-H318-H334
警示性声明 P261-P280-P305 + P351 + P338-P342 + P311
个人防护装备 dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲) Xn:Harmful
风险声明 (欧洲) R20/21/22;R36/37/38;R42
安全声明 (欧洲) S22-S26-S36/37
危险品运输编码 UN 2811 6.1/PG 3
WGK德国 3
RTECS号 CZ6150000
危险类别 6.1
海关编码 2929109000
海关编码 2929109000
中文概述 2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%