| 中文名 | 3-氯金刚烷-1-羧酸 |
|---|---|
| 英文名 | 3-chloroadamantane-1-carboxylic acid |
| 中文别名 | 3-氯金刚烷羧酸 |
| 英文别名 |
3-chloroadamantyl-1-carboxylic acid
Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-chloro-, (5R,7S)- 3-chloroadamantanecarboxylic acid 3-chloro-1-adamantanecarboxylic acid 3-Chlor-adamantan-carbonsaeure-(1) 1-Chloro-3-adamantanecarboxylic acid 3-ADAMANTANECARBOXYLIC ACID,1-CHLORO (1r,3s,5R,7S)-3-Chloro-1-adamantanecarboxylic acid MFCD00167831 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 343.2±15.0 °C at 760 mmHg |
| 熔点 | 136 °C |
| 分子式 | C11H15ClO2 |
| 分子量 | 214.689 |
| 闪点 | 161.4±20.4 °C |
| 精确质量 | 214.076050 |
| PSA | 37.30000 |
| LogP | 2.36 |
| 外观性状 | 白色固体 |
| 蒸汽压 | 0.0±1.6 mmHg at 25°C |
| 折射率 | 1.571 |
| 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 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：2.9 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：0 5、 互变异构体数量： 6、 拓扑分子极性表面积（TPSA）：40.1 7、 重原子数量：14 8、 表面电荷：-1 9、 复杂度：280 10、同位素原子数量：0 11、确定原子立构中心数量：2 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：粉末 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）：136 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 |
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# 34859-74-0: 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: 136 - 140 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: C11H15ClO2 Molecular Weight: 215 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 34859-74-0: AU4452700 LD50/LC50: Not available. Carcinogenicity: 3-Chloroadamantane-1-carboxylic acid - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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# 34859-74-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 34859-74-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 34859-74-0 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: 1、 急性毒性：小鼠未知途径LD50：1500mg/kg 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。
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2916209090 |
|
~83%
34859-74-0 |
| 文献：Khusnutdinov; Shchadneva; Baiguzina; Lavrent'eva; Burangulova; Dzhemilev Petroleum Chemistry, 2004 , vol. 44, # 2 p. 126 - 133 |
|
~58%
34859-74-0 |
| 文献：Yurchenko, R. I.; Peresypkina, L. P.; Miroshnichenko, V. V.; Yurchenko, A. G. Russian Journal of General Chemistry, 1993 , vol. 63, # 7.1 p. 1072 - 1076 Zhurnal Obshchei Khimii, 1993 , vol. 63, # 7 p. 1534 - 1539 |
|
~12%
34859-74-0 |
| 文献：Journal of Organic Chemistry USSR (English Translation), , vol. 16, # 7 p. 1231 - 1232 Zhurnal Organicheskoi Khimii, , vol. 16, # 7 p. 1433 - 1435 |
|
~%
34859-74-0 |
| 文献：Chemische Berichte, , vol. 95, p. 667 - 672 |
|
~%
34859-74-0 |
| 文献：Chemische Berichte, , vol. 95, p. 667 - 672 |
| 上游产品 5 | |
|---|---|
| 下游产品 5 | |
| 海关编码 | 2916209090 |
|---|---|
| 中文概述 | 2916209090 其他（环烷、环烯、环萜烯）一元羧酸（包括酸酐、酰卤化物，过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 丙烯酸、丙烯酸盐或酯应报明包装 |
| 监管条件 | A.入境货物通关单 B.出境货物通关单 |
| 检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验 |
| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
