130560-97-3
130560-97-3结构式
- 常用中文名：3-氯-4-氟硫代苯甲酰胺
- 常用英文名：3-chloro-4-fluorothiobenzamide
- CAS号：130560-97-3
- 分子式：C7H5ClFNS
- 分子量：189.63800
- 发布时间：2018-02-16 08:00:00
- 更新时间：2024-06-16 01:14:41
| 中文名 | 3-氯-4-氟硫代苯甲酰胺 |
|---|---|
| 英文名 | 3-chloro-4-fluorobenzenecarbothioamide |
| 英文别名 |
amino(3-chloro-4-fluorophenyl)methane-1-thione
3-Chloro-4-fluorothiobenzamide MFCD00042478 |
| 密度 | 1.434g/cm3 |
|---|---|
| 沸点 | 285.5ºC at 760mmHg |
| 熔点 | 129 °C |
| 分子式 | C7H5ClFNS |
| 分子量 | 189.63800 |
| 闪点 | 126.5ºC |
| 精确质量 | 188.98200 |
| PSA | 58.11000 |
| LogP | 2.81360 |
| 蒸汽压 | 0.00279mmHg at 25°C |
| 折射率 | 1.635 |
| 储存条件 | 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置 |
| 稳定性 | 如果遵照规格使用和储存则不会分解，未有已知危险反应 避免氧化物 |
| 分子结构 | 1、摩尔折射率：47.33 2、摩尔体积（cm3/mol）：132.1 3、等张比容（90.2K）：366.1 4、表面张力（dyne/cm）：58.9 5、介电常数：无可用的 6、极化率（10-24cm3）：18.76 7、单一同位素质量：188.981525 Da 8、标称质量：189 Da 9、平均质量：189.6377 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 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:1 5.互变异构体数量:2 6.拓扑分子极性表面积58.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:165 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：棕色或黄色固体 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）：129-130 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：不溶于水 |
Synonym:3-Chloro-4-fluorothiobenzamid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 130560-97-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 129 - 131 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H5ClFNS Molecular Weight: 189.63 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 130560-97-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chloro-4-fluorobenzene-1-carbothioamide - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 130560-97-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 130560-97-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 130560-97-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。
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| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/22 |
| 安全声明 (欧洲) | S26-S36 |
| 危险品运输编码 | 2811 |
| 包装等级 | III |
| 海关编码 | 2930909090 |
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~75%
130560-97-3 |
| 文献：Tetrahedron, , vol. 60, # 25 p. 5325 - 5330 |
| 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% |