132765-35-6

• 常用中文名：4,5-双(2-氰乙基硫代)-1,3-二硫醇-2-硫酮
• 常用英文名：4,5-bis-(2-Cyanoethylthio)-1,3-dithiol-2-thione
• CAS号：132765-35-6
• 分子式：C₉H₈N₂S₅
• 分子量：304.49800
• 发布时间：2018-12-25 15:36:55
• 更新时间：2024-01-08 17:00:13

名称

• 中文名: 4,5-双(2-氰乙基硫代)-1,3-二硫醇-2-硫酮
• 英文名: 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione
• 英文别名: 4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-THIONE; 3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile

物化性质

• 密度: 1.51g/cm3
• 沸点: 512.8ºC at 760 mmHg
• 熔点: 83 °C
• 分子式: C₉H₈N₂S₅
• 分子量: 304.49800
• 闪点: 264ºC
• 精确质量: 303.92900
• PSA: 186.75000
• LogP: 4.55066
• 外观性状: 固体;Light yellow to Amber to Dark green powder to crystal
• 蒸汽压: 1.25E-10mmHg at 25°C
• 折射率: 1.729
• 储存条件: 室温，干燥
• 分子结构:

  1、摩尔折射率：80.18

  2、摩尔体积（cm³/mol）：200.8

  3、等张比容（90.2K）：616

  4、表面张力（dyne/cm）：88.4

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：31.78

  7、单一同位素质量：303.929098 Da

  8、标称质量：304 Da

  9、平均质量：304.4982 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:0

  3.氢键受体数量:7

  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181

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:361

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20℃）：未确定

  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,KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

MSDS

4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 3 Acute toxicity (Oral) Acute toxicity (Dermal)Category 3 Category 3 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordDanger Hazard statementToxic by inhalation, in contact with skin and if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Avoid breathing. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for [Response] breathing. Call a POISON CENTER or doctor/physician. IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Remove/Take off immediately all contaminated clothing. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. Section2. HAZARDS IDENTIFICATION [Storage]Store in a well-ventilated place. Keep container tightly closed. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione >98.0%(LC) Percent: CAS Number:132765-35-6 Chemical Formula:C9H8N2S5 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. Call a POISON CENTER or doctor/physician. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should emergency procedures: be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a local exhaust if dust or aerosol will be generated. Avoid contact with skin, eyes and clothing. Advice on safe handling: Storage Keep container tightly closed. Store in a cool, dark and well-ventilated place. Storage conditions: Store locked up. Section7. HANDLING AND STORAGE Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Form:crystal - powder Color:Reddish yellow - Deep yellow red Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:Soluble in : Acetonitrile Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulphur oxides Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity in soil log Pow:No data available Section12. ECOLOGICAL INFORMATION Soil adsorption (Koc): No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION 6.1: Toxic substance. Hazards Class: UN-No:2811 Proper shipping name:Toxic solid, organic, n.o.s. Packing group:III Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): T+
• 危险品运输编码: 2811.0
• 危险类别: 1.0
• 海关编码: 2930909090

合成路线

2417-90-5 72022-68-5 ~83% 132765-35-6

文献：Tatewaki, Yoko; Watanabe, Takanori; Watanabe, Koji; Kikuchi, Kohei; Okada, Shuji Dalton Transactions, 2013 , vol. 42, # 45 p. 16121 - 16127

2417-90-5 ~63% 132765-35-6

文献：Abashev, G. G.; Russkikh, V. S.; Shklyaeva, E. V.; Vladykin, V. I. Russian Journal of Organic Chemistry, 1995 , vol. 31, # 11 p. 1533 - 1537 Zhurnal Organicheskoi Khimii, 1995 , vol. 31, # 11 p. 1705 - 1710

上下游产品

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66946-48-3 158871-28-4 132765-36-7

海关

海关编码	2930909090
中文概述	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
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%