83823-06-7

• 常用中文名：6-氯-2H-苯并吡喃-3-甲酸
• 常用英文名：6-Chloro-2H-chromene-3-carboxylic acid
• CAS号：83823-06-7
• 分子式：C₁₀H₇ClO₃
• 分子量：210.614
• 发布时间：2018-12-28 21:05:43
• 更新时间：2024-01-02 17:21:07

名称

• 中文名: 6-氯-2H-苯并吡喃-3-碳酸
• 英文名: 6-Chloro-2H-chromene-3-carboxylic acid
• 中文别名: 6-氯-2H-色烯-3-甲酸; 6-氯-2H-苯吡喃-3-甲酸
• 英文别名: MFCD00052362; 2H-1-Benzopyran-3-carboxylic acid, 6-chloro-; 6-Chloro-2H-chromene-3-carboxylic acid

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 367.0±42.0 °C at 760 mmHg
• 熔点: 244-246°C
• 分子式: C₁₀H₇ClO₃
• 分子量: 210.614
• 闪点: 175.7±27.9 °C
• 精确质量: 210.008377
• PSA: 46.53000
• LogP: 3.37
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.627
• 储存条件:

  密闭，阴凉，干燥处

• 稳定性:

  按规定使用和贮存的不会分解，避氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  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46.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:275

  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：固体

  2. 密度（g/mL25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：244-246

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC0.35mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º F）：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,）：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（正辛醇/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: 6-Chloro-2H-chromene-3-carboxylic acid Material Safety Data Sheet Synonym: 6-Chloro-2H-1-benzopyran-3-carboxylic aci CAS: 83823-06-7 Section 1 - Chemical Product MSDS Name:6-Chloro-2H-chromene-3-carboxylic acid Material Safety Data Sheet Synonym:6-Chloro-2H-1-benzopyran-3-carboxylic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 83823-06-7 6-Chloro-2H-chromene-3-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# 83823-06-7: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 244 - 246 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: C10H7ClO3 Molecular Weight: 211 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 83823-06-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Chloro-2H-chromene-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 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# 83823-06-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 83823-06-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 83823-06-7 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

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

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36
• 安全声明 (欧洲): S22-S24/25
• 海关编码: 2916190090

合成路线

57543-67-6 ~97% 83823-06-7

文献：Xiao, Guo-Qiang; Liang, Bao-Xia; Chen, Shu-Han; Ou, Tian-Miao; Bu, Xian-Zhang; Yan, Ming Archiv der Pharmazie, 2012 , vol. 345, # 10 p. 767 - 770

57544-34-0 ~67% 83823-06-7

文献：Loiodice, Fulvio; Longo, Antonio; Bianco, Pasquale; Tortorella, Vincenzo Tetrahedron: Asymmetry, 1995 , vol. 6, # 4 p. 1001 - 1012

635-93-8 ~% 83823-06-7

文献：Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 21, # 4 p. 344 - 347

83823-19-2 ~% 83823-06-7

文献：Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 21, # 4 p. 344 - 347

上下游产品

上游产品  4
57543-67-6 57544-34-0 635-93-8 83823-19-2
下游产品  4
306935-54-6 164265-01-4 83823-20-5 83823-23-8

海关

海关编码	2916190090
中文概述	2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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	2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%