(S)-(-)-己基硫氯丙烷

(S)-(-)-己基硫氯丙烷 基本信息
CAS号 244221-84-9 分子式 C8H16S
分子量 144.27800 精确质量  144.09700
PSA  25.30000 LogP  3.07220

基本信息 展开↓

CAS号:
244221-84-9
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分子式:
C8H16S
分子量:
144.27800
中文名称:
(S)-(-)-己基硫氯丙烷
英文名称:
(2S)-2-Hexylthiirane
中文别名:
(S)-(-)-己基硫氯丙烷;
(S)-(-)-1,2-环硫代辛烷
英文别名:
(2S)-2-Hexylthiirane;
(S)-(-)-1 2-EPITHIOOCTANE 90
精确分子量/精确质量:
144.09700
极性分子表面积/PSA:
25.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00798319
PubChem:
24871357
InChI:
The Key: FUCNFCAABRZCTR-QMMMGPOBSA-N

物化性质展开↓

密度:
0.922g/cm3
沸点:
192.3ºC at 760mmHg
闪点:
61.1ºC
折射率:
n20/D 1.47(lit.)
蒸汽压:
0.686mmHg at 25°C
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。远离热,明火。

稳定性相关:

指定条件下稳定,远离氧化物。

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):0.88

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,5.2kPa):未确定

7.       折射率:1.47

8.       闪点(ºC):79

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:未确定

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 244221-72-5

    1-(benzothiazol-2-ylsulfanyl)-octan-2-one

  • 244221-84-9

    (S)-(-)-己基硫氯丙烷

  • 2984-50-1

    1,2-环氧辛烷

  • 244221-84-9

    (S)-(-)-己基硫氯丙烷

  • 244221-80-5

    (R)-(-)-1-(benzothiazol-2-ylsulfanyl)-octan-2-ol

  • 244221-84-9

    (S)-(-)-己基硫氯丙烷

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        (S)-(-)-1,2-EPITHIOOCTANE, 90%    

    2 - Hazards Identification

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    (S)-(-)-1,2-EPITHIOOCTANE, 90%        None        None        None    
    Formula        C8H16S    
    Molecular Weight 144,2800 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: For small (incipient) fires, use media such as
    "alcohol" foam, dry chemical, or carbon dioxide. For large
    fires, apply water from as far as possible. Use very large
    ALDRICH        www.molbase.com    
    quantities (flooding) of water applied as a mist or spray; solid
    streams of water may be ineffective. Cool all affected
    containers with flooding quantities of water.
    SPECIAL RISKS
    Specific Hazard(s): Combustible liquid. 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: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Keep away from heat
    and open flame.
    Store at 2-8°C

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Respiratory protection is not required. Where
    protection is desired, use multi-purpose combination (US) or type
    ABEK (EN 14387) respirator cartridges.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    pH N/A
    BP/BP Range        83,000 °C        5,000 mmHg    
    MP/MP Range        N/A    
    Flash Point        79,000 °C        Method: closed cup    
    Flammability        N/A    
    ALDRICH        www.molbase.com    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    SG/Density        0,8800 g/cm3    
    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
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Sulfur oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract.
    Multiple Routes: May be harmful by inhalation, ingestion, or
    skin absorption.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    This combustible material may be burned in a chemical incinerator
    equipped with an afterburner and scrubber. Observe all federal,
    state, and local environmental regulations.

    14 - Transport Information

    ALDRICH        www.molbase.com    
    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    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

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:

3、   氢键受体数量:

4、   可旋转化学键数量:

5、   拓扑分子极性表面积(TPSA):

6、   重原子数量:

7、   表面电荷:

8、   复杂度:

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

 

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  • 244221-80-5

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  • 2984-50-1

    1,2-环氧辛烷

  • 244221-72-5

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