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| 中文名 | 3-甲基苯并[B]噻吩-2-羰醛 |
|---|---|
| 英文名 | 3-methyl-1-benzothiophene-2-carbaldehyde |
| 中文别名 |
3-甲基苯并[b]噻吩-2-羰醛
3-甲基苯并[b]噻吩-2-甲醛 |
| 英文别名 |
3-Methylbenzo[b]thiophene-2-carbaldehyde
3-Methylbenzo[b]thiophene-2-carboxaldehyde MFCD00052307 |
| 密度 | 1.25g/cm3 |
|---|---|
| 沸点 | 318.9ºC at 760 mmHg |
| 熔点 | 88-90°C |
| 分子式 | C10H8OS |
| 分子量 | 176.23500 |
| 闪点 | 146.7ºC |
| 精确质量 | 176.03000 |
| PSA | 45.31000 |
| LogP | 3.02220 |
| 外观性状 | 白色至淡黄色晶体粉末 |
| 蒸汽压 | 0.00035mmHg at 25°C |
| 折射率 | 1.692 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 如果遵照规格使用和储存则不会分解 避免接触氧化物，酸，碱，空气 |
| 分子结构 | 1、 摩尔折射率：54.05 2、 摩尔体积(cm3/mol)：140.9 3、 等张比容(90.2K)：376.9 4、 表面张力(dyne/cm)：51.1 5、 极化率 (10-24cm 3) ： 21.43 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.1 2.氢键供体数量:0 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:无 6.拓扑分子极性表面积45.3 7.重原子数量:12 8.表面电荷:0 9.复杂度:181 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）：88-90 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:3-Methylbenzo[b]thiophene-2-carboxaldehyd Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Air sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 22053-74-3: 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: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 88 - 89 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: C10H8OS Molecular Weight: 176 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22053-74-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Methylbenzo[b]thiophene-2-carbaldehyde - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 22053-74-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22053-74-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22053-74-3 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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毒理学数据: 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境
|
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S24/25-S36/37/39 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2934999090 |
|
~99%
22053-74-3 |
| 文献：Matthews, Jay M.; Qin, Ning; Colburn, Raymond W.; Dax, Scott L.; Hawkins, Mike; McNally, James J.; Reany, Laura; Youngman, Mark A.; Baker, Judith; Hutchinson, Tasha; Liu, Yi; Lubin, Mary Lou; Neeper, Michael; Brandt, Michael R.; Stone, Dennis J.; Flores, Christopher M. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2922 - 2926 |
|
~%
22053-74-3 |
| 文献：WO2007/134107 A2, ; Page/Page column 166 ; WO 2007/134107 A2 |
|
~%
22053-74-3 |
| 文献：Journal of Organic Chemistry, , vol. 23, p. 560,563 |
| 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% |
