三硫代碳酸二苄酯

三硫代碳酸二苄酯 基本信息
CAS号 26504-29-0 分子式 C15H14S3
分子量 290.46700 精确质量  290.02600
PSA  82.69000 LogP  5.13810

基本信息 展开↓

CAS号:
26504-29-0
3D弹球模型:
立即前往扯扯看
分子式:
C15H14S3
分子量:
290.46700
中文名称:
三硫代碳酸二苄酯
英文名称:
bis(benzylsulfanyl)methanethione
中文别名:
三硫代碳酸二苄酯;
双(苯甲基硫基)甲硫酮
英文别名:
bis(benzylsulfanyl)methanethione;
trithiocarbonic acid dibenzyl ester;
dibenzyl trithiocarbonate;
S,S-Dibenzyl trithiocarbonate;
dibenzyl carbonotrithioate;
S,S-DIBENZYLTRITHIOCARBONATE
精确分子量/精确质量:
290.02600
极性分子表面积/PSA:
82.69000
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: LAKYXBYUROTWBI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.249g/cm3
熔点:
72-74℃
沸点:
469ºC at 760 mmHg
闪点:
237.5ºC
折射率:
1.683
蒸汽压:
1.6E-08mmHg at 25°C

安全信息展开↓

海关代码:
2930909090

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       S,S-Dibenzyltrithiocarbonate, min. 97%    
   CAS Registry Number:       26504-29-0    
   Formula:       C15H14S3    
   EINECS Number:       none    
   Chemical Family:       organosulfur compound    
   Synonym:       Bis(benzylsulfanyl)methanethione; Trithiocarbonic acid dibenzyl ester    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       26504-29-0       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unususal fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Store cold. Prolonged
   Handling and Storage:
   exposure to air and moisture will degrade the material.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       dark yellow liquid    
   Molecular Weight:       290.47    
   Melting Point:       no data    
   Boiling Point:       172°C /0.06 mm    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       slight rotten egg smell    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive (store cold)    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, sulfur oxides and organic fumes    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Title compound not listed    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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):5.2

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积:82.7

7.重原子数量:18

8.表面电荷:0

9.复杂度:216

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: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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