13610-55-4

• 常用中文名：3-(2-氧代-2,3-二氢-1,3-苯并噁唑)丙腈
• 常用英文名：3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE
• CAS号：13610-55-4
• 分子式：C₁₀H₈N₂O₂
• 分子量：188.18300
• 发布时间：2018-12-27 19:24:18
• 更新时间：2024-01-10 22:54:13

名称

• 中文名: 3-(2-氧代-2,3-二氢-1,3-苯并噁唑)丙腈
• 英文名: 3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
• 中文别名: 2-酮基-3(2H)-苯并噁唑丙腈
• 英文别名: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile; 3-Benzoxazolonyl-(3)-propionitril; 3-(2-oxo-benzooxazol-3-yl)-propionitrile; 3-(2-cyanoethyl)benzoxazolone; 3-(2-oxo-3-hydrobenzoxazol-3-yl)propanenitrile; 2-oxo-3(2H)-benzoxazolinepropionitrile

物化性质

• 密度: 1.301g/cm3
• 沸点: 368.9ºC at 760mmHg
• 熔点: 119-121ºC(lit.)
• 分子式: C₁₀H₈N₂O₂
• 分子量: 188.18300
• 闪点: 176.9ºC
• 精确质量: 188.05900
• PSA: 58.93000
• LogP: 1.50818
• 蒸汽压: 1.23E-05mmHg at 25°C
• 折射率: 1.583

MSDS

Name: 3-(2-Oxo-2 3-dihydro-1 3-benzoxazol-3-yl)propanenitrile 97% Material Safety Data Sheet Synonym: 3-(2-Benzoxazolinin-3-yl)propionitril CAS: 13610-55-4 Section 1 - Chemical Product MSDS Name:3-(2-Oxo-2 3-dihydro-1 3-benzoxazol-3-yl)propanenitrile 97% Material Safety Data Sheet Synonym:3-(2-Benzoxazolinin-3-yl)propionitril Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13610-55-4 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3- 97% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. 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: 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# 13610-55-4: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 118 - 120 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: C10H8N2O2 Molecular Weight: 188 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13610-55-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile - 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 Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 13610-55-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13610-55-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13610-55-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36
• 海关编码: 2934999090

合成路线

41246-17-7 76-02-8 ~83% 13610-55-4

文献：Ram, Ram N.; Soni, Vineet Kumar Journal of Organic Chemistry, 2013 , vol. 78, # 23 p. 11935 - 11947

59-49-4 107-13-1 ~73% 13610-55-4

文献：D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496

100-65-2 ~% 13610-55-4

文献：Journal of Organic Chemistry, , vol. 78, # 23 p. 11935 - 11947

上下游产品

上游产品  5
41246-17-7 76-02-8 59-49-4 107-13-1
100-65-2
下游产品  4
13610-59-8 13610-66-7 17124-56-0 17124-57-1

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%