485-31-4

485-31-4结构式
485-31-4结构式

化源商城直购

中文名 乐杀螨
英文名 binapacryl
中文别名 2-仲丁基-4,6-二硝基苯基-3-甲基丁烯酸酯
2-仲丁基-4,6-二硝基苯基-3-甲基-丁烯2-酸酯
2-仲丁基-4,6-二硝基苯基-3,3-二甲基丙烯酸酯
英文别名 2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester (9CI)
2-sec-Butyl-4,6-dinitrophenyl 3-methylbut-2-enoate
Morocide
MFCD00055425
2-(1-methylpropyl)-4,6-dinitrophenyl 3-methyl-2-butenoate
Caswell No. 086
Dinoseb methacrylate
4,6-dinitro-2-sec.-butylphenyl 3,3-dimethylacrylate
2-sec-Butyl-4,6-dinitrophenyl 3,3-Dimethylacrylate
2-sec-butyl-4,6-dinitrophenyl-3,3-dimethylacrylate
Dapacryl
Morrocid
EINECS 207-612-9
2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
2-sec-Butyl-4,6-dinitrophenyl 3-methyl-2-butenoate
Binapacryl
(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate
2-(butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate
(RS)-2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate
2,4-dinitro-6-sec-butylphenyldimethyl-acrylate
Endosan
4,6-Dinitro-2-sec-butylphenyl b,b-Dimethylacrylate
rac-2-[(2R)-butan-2-yl]-4,6-dinitrophenyl 3-methylbut-2-enoate
Ambox
Acricid
2-sec-Butyl-4,6-dinitrophenyl-3-methylbut-2-enoat
Dinapacryl
密度 1.2±0.1 g/cm3
沸点 436.7±45.0 °C at 760 mmHg
熔点 68-69ºC
分子式 C15H18N2O6
分子量 322.313
闪点 171.7±30.7 °C
精确质量 322.116486
PSA 117.94000
LogP 4.90
蒸汽压 0.0±1.0 mmHg at 25°C
折射率 1.553
储存条件

本品应密封避光保存。

稳定性

按规格使用和贮存,不会发生分解,避免与氧化物接触

分子结构

1、 摩尔折射率:83.30

2、 摩尔体积(m3/mol):260.2

3、 等张比容(90.2K):677.3

4、 表面张力(dyne/cm):45.8

5、 极化率(10 -24cm 3):33.02

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积118

7.重原子数量:23

8.表面电荷:0

9.复杂度:489

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:1

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:白色结晶。带有轻微芳香气味。在浓酸和稀碱中不稳定,长期与水接触会引起轻微水解,紫外线能使其缓慢分解。

2. 密度(g/mL,25/4℃):1.2307

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):68~69

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:未确定

8. 闪点(ºC): 未确定

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(kPa,25ºC):未确定

12.饱和蒸气压(kPa,60ºC):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:溶于大多数有机溶剂,几乎不溶于水。


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Binapacryl
Index-No.: 609-024-00-1
CAS-No.: 485-31-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Reproductive toxicity (Category 1B)
Acute toxicity (Category 4)
Acute toxicity (Category 4)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
May cause harm to the unborn child. Harmful in contact with skin and if swallowed. Very toxic to aquatic
organisms, may cause long-term adverse effects in the aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H302Harmful if swallowed.
H312Harmful in contact with skin.
H410Very toxic to aquatic life with long lasting effects.
H360DMay damage the unborn child.
Precautionary statement(s)
P201Obtain special instructions before use.
P273Avoid release to the environment.
P280Wear protective gloves/ protective clothing.
P308 + P313IF exposed or concerned: Get medical advice/ attention.
P501Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R61May cause harm to the unborn child.
R21/22Also harmful in contact with skin and if swallowed.
R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S53Avoid exposure - obtain special instructions before use.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
S60This material and its container must be disposed of as hazardous waste.
S61Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Restricted to professional users.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C15H18N2O6
Molecular Weight: 322,31 g/mol
ComponentConcentration
Binapacryl
CAS-No.485-31-4-
EC-No.207-612-9
Index-No.609-024-00-1

Section4. 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. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
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
Indication of any immediate medical attention and special treatment needed
no data available

Section5. 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

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
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.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.Avoid exposure - obtain special
instructions before use.
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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).

Section9. 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/freezingno data available
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
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

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 58 mg/kg
LD50 Dermal - rabbit - 750 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
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
May cause congenital malformation in the fetus.
Presumed human reproductive toxicant
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
Skin
Toxic if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Additional Information
RTECS: GQ5600000

Section12. ECOLOGICAL INFORMATION
Toxicity
Toxicity to fishmortality LOEC - Salmo salar (Atlantic salmon) - 0,06 mg/l - 96,0 h
LC50 - Oncorhynchus mykiss (rainbow trout) - 0,05 mg/l - 96,0 h
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.

Section13. 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.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
IATA:Toxic solid, organic, n.o.s. (Binapacryl)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine Pollutant: yesIATA: no
Special precautions for user
no data available

Section15. 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
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2012 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、急性毒性:大鼠经口LD50:58mg/kg,除致死剂量外无详细说明;

大鼠经皮肤LD50:720mg/kg,除致死剂量外无详细说明;

小鼠经口LD50:1600mg/kg,行为-嗜睡(普通抑郁活动)或惊厥或癫痫,呼吸刺激;

小鼠经皮肤LD50:750mg/kg,除致死剂量外无详细说明;

狗经口LD50:50mg/kg,除致死剂量外无详细说明;

兔子经皮肤LD50:750mg/kg,除致死剂量外无详细说明;

豚鼠经口LD50:200mg/kg,行为-嗜睡(普通抑郁活动)或惊厥或癫痫,呼吸刺激;

鸡经口LD50:>800mg/kg,除致死剂量外无详细说明;

2、致突变数据:微生物机体TEST系统突变:细菌-鼠伤寒沙门氏杆菌:5mg/plate;

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ5600000
CHEMICAL NAME :
Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester
CAS REGISTRY NUMBER :
485-31-4
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C15-H18-N2-O6
MOLECULAR WEIGHT :
322.35
WISWESSER LINE NOTATION :
2Y1&R CNW ENW BOV1UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 mg/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 116,185,1983

符号 GHS07 GHS08 GHS09
GHS07, GHS08, GHS09
信号词 Danger
危害声明 H302 + H312-H360D-H410
警示性声明 P201-P273-P280-P308 + P313-P501
个人防护装备 dust mask type N95 (US);Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
危害码 (欧洲) T: Toxic;N: Dangerous for the environment;
风险声明 (欧洲) 61-21/22-50/53
安全声明 (欧洲) 53-45-60-61
危险品运输编码 2779
WGK德国 3
RTECS号 GQ5600000
包装等级 III
危险类别 6.1(b)

2-仲丁基-4,6-二硝基酚与β,β二甲基丙烯酰氯在氮气保护下,于 135 ℃ 搅拌反应5h,减压蒸馏除去过量的酰氯,剩余物用石油醚洗涤,经苯-己烷重结晶,得原药乐杀螨。原料消耗定额:2-仲丁基-4,6-二硝基酚 750kg /t、β,β二甲基丙烯酰氯 1120kg /t。