34859-74-0

• 常用中文名：3-氯金刚烷-1-羧酸
• 常用英文名：3-chloroadamantanecarboxylic acid
• CAS号：34859-74-0
• 分子式：C₁₁H₁₅ClO₂
• 分子量：214.689
• 发布时间：2018-07-12 11:21:52
• 更新时间：2024-01-08 14:26:39

名称

• 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

物化性质

• 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

MSDS

Name: 3-Chloroadamantane-1-carboxylic acid 97% Material Safety Data Sheet Synonym: CAS: 34859-74-0 Section 1 - Chemical Product MSDS Name:3-Chloroadamantane-1-carboxylic acid 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 34859-74-0 3-Chloroadamantane-1-carboxylic acid 97% unlisted Hazard Symbols: XI 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

毒性和生态

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 RTECS NUMBER : AU4452700 CHEMICAL NAME : 3-Adamantanecarboxylic acid, 1-chloro- CAS REGISTRY NUMBER : 34859-74-0 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H15-Cl-O2 MOLECULAR WEIGHT : 214.71 WISWESSER LINE NOTATION : L 66 B6/B-H/DI A B- C 1B ITJ AVQ CG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1500 mg/kg TOXIC EFFECTS : Behavioral - anticonvulsant REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980

安全

• 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

合成路线

828-51-3 ~83% 34859-74-0

文献：Khusnutdinov; Shchadneva; Baiguzina; Lavrent'eva; Burangulova; Dzhemilev Petroleum Chemistry, 2004 , vol. 44, # 2 p. 126 - 133

50795-82-9 ~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

6240-00-2 ~12% 34859-74-0 6240-01-3

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 16, # 7 p. 1231 - 1232 Zhurnal Organicheskoi Khimii, , vol. 16, # 7 p. 1433 - 1435

21816-08-0 ~% 34859-74-0

文献：Chemische Berichte, , vol. 95, p. 667 - 672

42711-75-1 ~% 34859-74-0

文献：Chemische Berichte, , vol. 95, p. 667 - 672

上下游产品

上游产品  5
828-51-3 50795-82-9 6240-00-2 21816-08-0
42711-75-1
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281-23-2 24569-89-9 935-56-8 768-90-1
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海关

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%