158358-96-4

158358-96-4结构式
158358-96-4结构式

化源商城直购

英文名 (2R)-3,3-difluoroheptane-1,2-diol
英文别名 (R)-3,3-difluoro-1,2-dihydroxyheptane
(2R)-3,3-difluoroheptan-1,2-diol
(R)-3,3-difluoroheptane-1,2-diol
(R)-3,3-difluoro-1,2-heptanediol
MFCD01321332
1,2-Heptanediol,3,3-difluoro-,(R)-(9CI)
密度 1.118g/cm3
沸点 275.7ºC at 760mmHg
分子式 C7H14F2O2
分子量 168.18200
闪点 120.5ºC
精确质量 168.09600
PSA 40.46000
LogP 1.16510
蒸汽压 0.001mmHg at 25°C
折射率 1.417
储存条件

密封储存,储存于阴凉、干燥的库房。冷藏温度2-8ºC。

稳定性

避免与酸氯化物,酸酐,氧化剂,还原剂接触。

计算化学

1.疏水参数计算参考值(XlogP):1.4

2.氢键供体数量:2

3.氢键受体数量:4

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40.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:107

10.同位素原子数量:0

11.确定原子立构中心数量:1

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, 25 ℃ ):0.783

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):未确定

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,30mmHg);130-132

7. 折射率(n20/D):1.419

8. 闪点(ºC):113

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):未确定

12. 饱和蒸气压(kPa,25ºC):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

Version 1.2
Regulation (EC) No 1907/2006

1 - Product and Company Information

Product Name(R)-(+)-3,3-DIFLUORO-1,2-HEPTANEDIOL,
95 %

2 - Hazards Identification

3 - Composition/Information on Ingredients

Product NameCAS #EC noAnnex I
Index Number
(R)-(+)-3,3-DIFLUORO-1,2-HEPTANEDI 158358-96-4 NoneNone
OL, 95%
FormulaC7H14F2O2
Molecular Weight 168,1700 AMU

4 - First Aid Measures

AFTER INHALATION
If inhaled, remove to fresh air.
AFTER SKIN CONTACT
Flush skin with water.
AFTER EYE CONTACT
Contamination of the eyes should be treated by immediate and
prolonged irrigation with copious amounts of water.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
GENERAL INFORMATION
Contamination of the eyes should be treated by immediate and
prolonged irrigation with copious amounts of water.

5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

6 - Accidental Release Measures

PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

7 - Handling and Storage

HANDLING
Directions for Safe Handling: Use protective clothing, gloves,
and mask. Do not breathe vapor. Avoid contact with eyes, skin,
and clothing.
STORAGE
Conditions of Storage: Keep tightly closed. Store in a cool dry
place.
Store at 2-8°C

8 - Exposure Controls / Personal Protection

ENGINEERING CONTROLS
Mechanical exhaust required. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Eye Protection: Chemical safety goggles.

9 - Physical and Chemical Properties

pH N/A
BP/BP Range130,000. - 132,000 °30,000 mmHg 30,000 mmHg
C. 130,000. - 132,00
0 °C.
MP/MP RangeN/A
Flash Point113,000 °CMethod: closed cup
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
SG/Density0,7830 g/cm3
ALDRICHwww.molbase.com
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A

10 - Stability and Reactivity

STABILITY
Materials to Avoid: Acid chlorides, Acid anhydrides, Oxidizing
agents, Chloroformates, Reducing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Hydrogen fluoride.

11 - Toxicological Information

SIGNS AND SYMPTOMS OF EXPOSURE
Nausea, headache, and vomiting. Gastrointestinal disturbances.
Exposure can cause: Chronic fluorine poisoning can result in
sclerosis of the bones, calcification of ligaments, loss of
weight, anorexia, anemia, and dental effects. Ingestion of large
doses can cause severe diarrhea and cramp-like pains.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Eye Contact: May cause eye irritation.
Multiple Routes: May be harmful by inhalation, ingestion, or
skin absorption.

12 - Ecological Information

No data available.

13 - Disposal Considerations

SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.

14 - Transport Information

RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
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Non-hazardous for air transport.

15 - Regulatory Information

Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

16 - Other Information

WARRANTY
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. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICHwww.molbase.com


SECTION 16 - ADDITIONAL INFORMATION
N/A
WGK德国 3
海关编码 2905590090
上游产品  2

下游产品  0

海关编码 2905590090
中文概述 2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途, 包装
Summary 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%