| 中文名 | 3-氯苯并[b]噻吩-2-甲酰胺 |
|---|---|
| 英文名 | 3-chloro-1-benzothiophene-2-carboxamide |
| 中文别名 |
3-氯苯并(B)噻吩-2-羰基氯
3-氯苯并噻吩-2-甲酰胺 |
| 英文别名 |
3-chloro[1]benzothiophene-2-carboxamide
HMS546A10 3-Chlorbenzo<b>thiophen-2-carbonsaeureamid MFCD00067793 3-chloro-benzo[b]thiophene-2-carboxylic acid amide 3-chlorobenzo[b]thiophene-2-carboxamide |
| 密度 | 1.473g/cm3 |
|---|---|
| 沸点 | 392.7ºC at 760 mmHg |
| 熔点 | 235ºC |
| 分子式 | C9H6ClNOS |
| 分子量 | 211.66800 |
| 闪点 | 191.3ºC |
| 精确质量 | 210.98600 |
| PSA | 71.33000 |
| LogP | 3.35390 |
| 蒸汽压 | 2.25E-06mmHg at 25°C |
| 折射率 | 1.712 |
| 储存条件 | 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 远离高温，火花，火焰 避免氧化剂，强还原剂 |
| 分子结构 | 1、 摩尔折射率：56.30 2、 摩尔体积(m3/mol)：143.6 3、 等张比容(90.2K)：404.5 4、 表面张力(dyne/cm)：62.8 5、 极化率(10-24cm3)：22.32 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.8 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71.3 7.重原子数量:13 8.表面电荷:0 9.复杂度:224 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,25/4℃）：未确定 3.相对蒸汽密度（g/mL,空气=1）：未确定 4.熔点（ºC ）;234-236 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：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（kPa,25ºC）：未确定 12.饱和蒸气压（kPa,60ºC）：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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
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: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Treat symptomatically and supportively. 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# 21211-09-6: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 235 - 237 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C9H6ClNOS Molecular Weight: 212 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 21211-09-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chlorobenzo[b]thiophene-2-carboxamide - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 21211-09-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 21211-09-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 21211-09-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| 海关编码 | 2934999090 |
|
~20%
21211-09-6 |
| 文献：Jayachandran, T.; Paramasivam, R.; Ramakrishnan, V. T. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 89 - 91 |
|
~79%
21211-09-6 |
| 文献：Hirota, Takashi; Tomita, Kei-Ichiroh; Sasaki, Kenji; Okuda, Kensuke; Yoshida, Masahiko; Kashino, Setsuo Heterocycles, 2001 , vol. 55, # 4 p. 741 - 752 |
|
~58%
21211-09-6 |
| 文献：Collection of Czechoslovak Chemical Communications, , vol. 51, # 12 p. 2839 - 2847 |
|
~%
21211-09-6 |
| 文献：Collection of Czechoslovak Chemical Communications, , vol. 51, # 12 p. 2839 - 2847 |
| 上游产品 3 | |
|---|---|
| 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% |
