(R)-4-苄基噻唑啉-2-硫酮

(R)-4-苄基噻唑啉-2-硫酮 基本信息
CAS号 110199-17-2 分子式 C10H11NS2
分子量 209.33100 精确质量  209.03300
PSA  69.42000 LogP  2.54780

基本信息 展开↓

CAS号:
110199-17-2
3D弹球模型:
立即前往扯扯看
分子式:
C10H11NS2
分子量:
209.33100
中文名称:
(R)-4-苄基噻唑啉-2-硫酮
英文名称:
(R)-4-Benzylthiazolidine-2-thione
中文别名:
(R)-4-苄基噻唑啉-2-硫酮;
(R)-4-苄基噻唑-2-硫酮;
(R)-4-苄基-1,3-噻唑烷-2-硫酮;
R-4-苄基噻唑啉-2-硫酮
英文别名:
(R)-4-Benzylthiazolidine-2-thione;
(4R)-4-benzyl-1,3-thiazolidine-2-thione;
R-4-Benzylthiazolidine-2-thione
精确分子量/精确质量:
209.03300
极性分子表面积/PSA:
69.42000
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。
InChI:
The Key: SLDUGQISGRPGAW-SECBINFHSA-N

物化性质展开↓

密度:
1.27g/cm3
沸点:
328.4ºC at 760mmHg
闪点:
152.4ºC
折射率:
1.676
蒸汽压:
0mmHg at 25°C

安全信息展开↓

海关代码:
2934999090
危险类别码:
R20/21/22
安全说明:
26-36
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 124-13-0

    正辛醛

  • +

  • 911040-42-1

    911040-42-1

  • ~15%

  • 1222190-45-5

    (R)-1-((R)-4-benzyl-2-thioxothiazolidin-3-yl)-3-hydroxydecan-1-one

  • +

  • 110199-17-2

    (R)-4-苄基噻唑啉-2-硫酮

  • +

  • 1353031-33-0

    1353031-33-0

  • +

  • 1353031-50-1

    1353031-50-1

  • 911040-42-1

    911040-42-1

  • 110199-17-2

    (R)-4-苄基噻唑啉-2-硫酮

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : (R)-4-Benzylthiazolidine-2-thione    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a dangerous substance according to GHS.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C10H11NS2    
    Molecular Weight        : 209,33 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  (R)-4-Benzylthiazolidine-2-thione
    110199-17-2        -        -        -        -    

Section 4. FIRST AID MEASURES
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
    protection.
  Conditions for safe storage
    Keep container tightly closed in a dry and well-ventilated place. Store in cool place.
    Store under inert gas. Air sensitive.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use
    type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved
    under appropriate government standards such as NIOSH (US) or CEN (EU).
  Hand 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.
  Eye protection
    Use equipment for eye protection tested and approved under appropriate government standards such as
    NIOSH (US) or EN 166(EU).
  Skin and body protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous substances,
    and to the specific work-place., The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Hygiene measures
    General industrial hygiene practice.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        crystalline    
    Colour        white    
  Safety data
    pH        no data available    
    Melting point        no data available    
    Boiling point        no data available    
    Flash point        no data available    
    Ignition temperature        no data available    
    Lower explosion limit        no data available    
    Upper explosion limit        no data available    
    Water solubility        no data available    
    Partition coefficient:        log Pow: 2,7    
    n-octanol/water

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
    Sulphur oxides

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  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
    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
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin
    May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.    
  Additional Information
    RTECS: Not available

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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods

Section 15. REGULATORY INFORMATION


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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):2.9

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积69.4

7.重原子数量:13

8.表面电荷:0

9.复杂度:187

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

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