1736-21-6

• 常用中文名：3-(4-氟苯基)-5-甲基异恶唑-3-甲酸
• 常用英文名：3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
• CAS号：1736-21-6
• 分子式：C₁₁H₈FNO₃
• 分子量：221.18500
• 发布时间：2018-10-05 12:44:31
• 更新时间：2024-01-02 17:46:26
• 下载msds

名称

• 中文名: 3-(4-氟苯基)-5-甲基-4-异恶唑羧酸
• 英文名: 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
• 中文别名: 3-(4-氟苯基)-5-甲基-异噁唑-4-甲酸; 3-(4-氟苯基)-5-甲基异恶唑-4-羧酸; 3-(4-氟苯基)-5-甲基-4-异噁唑羧酸
• 英文别名: 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

物化性质

• 密度: 1.35g/cm3
• 沸点: 361.6ºC at 760mmHg
• 熔点: 198-202ºC
• 分子式: C₁₁H₈FNO₃
• 分子量: 221.18500
• 闪点: 172.5ºC
• 精确质量: 221.04900
• PSA: 63.33000
• LogP: 2.48730
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 7.36E-06mmHg at 25°C
• 折射率: 1.56
• 储存条件: 0-10°C;避免加热
• 水溶解性: 可溶于：甲醇

MSDS

Name: 3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid 97% Material Safety Data Sheet Synonym: CAS: 1736-21-6 Section 1 - Chemical Product MSDS Name:3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1736-21-6 3-(4-Fluorophenyl)-5-methyl-4-isoxazol 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# 1736-21-6: 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: 202 - 203 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: C11H8FNO3 Molecular Weight: 221.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1736-21-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic 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# 1736-21-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1736-21-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1736-21-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2934999090

合成路线

954230-39-8 ~88% 1736-21-6

文献：Hoffmann-La Roche Inc.; Dott, Pascal; Grassmann, Olaf; Kammerer, Michael; Manns, Joachim; Schwitter, Urs; Thomas, Andrew; Wyttenbach, Nicole Patent: US2013/172329 A1, 2013 ; Location in patent: Paragraph 0258 ;

459-23-4 ~% 1736-21-6

文献：Journal of Agricultural and Food Chemistry, , vol. 43, # 1 p. 219 - 228

42202-95-9 ~% 1736-21-6

文献：Journal of Agricultural and Food Chemistry, , vol. 43, # 1 p. 219 - 228

459-57-4 ~% 1736-21-6

文献：US2013/102778 A1, ;

159693-09-1 ~% 1736-21-6

文献：Journal of Agricultural and Food Chemistry, , vol. 43, # 1 p. 219 - 228

42202-95-9 105-45-3 ~% 1736-21-6

文献：Journal of the Chemical Society, , p. 5838 - 5845

上下游产品

上游产品  6
954230-39-8 459-23-4 42202-95-9 459-57-4
159693-09-1 105-45-3
下游产品  2
465514-05-0 491875-99-1

海关

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%