(R)-(+)-3,3-二氟-1,2-庚二醇

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

(R)-(+)-3,3-二氟-1,2-庚二醇 基本信息

中文名称:
(R)-(+)-3,3-二氟-1,2-庚二醇 
中文别名:
(R)-(+)-3,3-二氟-1,2-庚二醇 
英文名称:
1,2-Heptanediol,3,3-difluoro-, (R)- (9CI)
英文别名:
(2R)-3,3-difluoroheptane-1,2-diol;
(2R)-3,3-difluoroheptan-1,2-diol;
(R)-3,3-difluoroheptane-1,2-diol;
1,2-Heptanediol,3,3-difluoro-,(R)-(9CI);
(R)-3,3-difluoro-1,2-heptanediol;
(R)-3,3-difluoro-1,2-dihydroxyheptane 
CAS No.:
158358-96-4
分 子 式:

C7H14F2O2

分 子 量:
168.18
精确分子量:
168.09600
PSA:
40.46000
MDL:
MFCD01321332
InChI:
The Key: NDZCPOSFHWMJGY-ZCFIWIBFSA-N
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

(R)-(+)-3,3-二氟-1,2-庚二醇 物化性质

密度:
1.118g/cm3
沸点:
275.7ºC at 760mmHg
闪点:
120.5ºC
折射率:
1.417
蒸汽压:
0.001mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度2-8ºC

稳定性相关:

避免与酸氯化物,酸酐,氧化剂,还原剂接触。

其它信息:

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(ºC30mmHg;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

(R)-(+)-3,3-二氟-1,2-庚二醇 安全信息

海关代码:
2905590090
WGK_Germany:
3
德国有关水污染物质的分类清单

(R)-(+)-3,3-二氟-1,2-庚二醇 MSDS

    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 Name        CAS #        EC no        Annex I    
    Index Number
    (R)-(+)-3,3-DIFLUORO-1,2-HEPTANEDI 158358-96-4 None        None    
    OL, 95%
    Formula        C7H14F2O2    
    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

    ALDRICH        www.molbase.com    
    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 Range        130,000. - 132,000 °30,000 mmHg 30,000 mmHg    
    C. 130,000. - 132,00
    0 °C.
    MP/MP Range        N/A    
    Flash Point        113,000 °C        Method: closed cup    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    SG/Density        0,7830 g/cm3    
    ALDRICH        www.molbase.com    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/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
    ALDRICH        www.molbase.com    
    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.
    ALDRICH        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

(R)-(+)-3,3-二氟-1,2-庚二醇 海关数据

中国海关编码:2905590090

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
摘要/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%

(R)-(+)-3,3-二氟-1,2-庚二醇 分子结构与计算化学数据

计算化学数据

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

(R)-(+)-3,3-二氟-1,2-庚二醇 上游产品

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