| 中文名 | 5-氯苯并[B]噻吩-3-羧酸 |
|---|---|
| 英文名 | 5-chloro-1-benzothiophene-3-carboxylic acid |
| 中文别名 | 5-氯苯并噻吩-3-甲酸 |
| 英文别名 |
5-chlorobenzo[b]thiophen-3-carboxylic acid
5-chlorobenzothiophene-3-carboxylic acid 5-Chlorbenzo<b>thiophen-3-carbonsaeure 5-Chloro-benzo[b]thiophene-3-carboxylic acid MFCD00052301 |
| 密度 | 1.546g/cm3 |
|---|---|
| 沸点 | 408.6ºC at 760mmHg |
| 熔点 | 286ºC |
| 分子式 | C9H5ClO2S |
| 分子量 | 212.65300 |
| 闪点 | 200.9ºC |
| 精确质量 | 211.97000 |
| PSA | 65.54000 |
| LogP | 3.25290 |
| 蒸汽压 | 2.08E-07mmHg at 25°C |
| 折射率 | 1.719 |
| 分子结构 | 1、 摩尔折射率：54.30 2、 摩尔体积（cm3/mol）：137.5 3、 等张比容（90.2K）：392.2 4、 表面张力（dyne/cm）：66.2 5、 极化率（10-24cm3）：21.52 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.1 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积65.5 7.重原子数量:13 8.表面电荷:0 9.复杂度:222 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.熔点（760 mmHg,ºC）：282-285 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 16361-24-3: 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: Powder Color: White Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 282 - 285 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: C9H5ClO2S Molecular Weight: 212.66 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, amines. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 16361-24-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Chloro-benzo[b]thiophene-3-carboxylic acid - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. 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# 16361-24-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 16361-24-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 16361-24-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 风险声明 (欧洲) | 36/37/38 |
|---|---|
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2934999090 |
|
~55%
16361-24-3 |
| 文献：Beecham Group p.l.c. Patent: US4548948 A1, 1985 ; |
| 上游产品 1 | |
|---|---|
| 下游产品 0 | |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 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 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
