36216-80-5

• 常用中文名：1,2-苯并异恶唑-3-胺
• 常用英文名：Benzo[d]isoxazol-3-amine
• CAS号：36216-80-5
• 分子式：C₇H₆N₂O
• 分子量：134.135
• 发布时间：2018-04-07 08:00:00
• 更新时间：2024-01-03 17:29:54

名称

• 中文名: 1,2-苯并异恶唑-3-胺
• 英文名: 1,2-benzoxazol-3-amine
• 中文别名: 1,2-苯并异唑-3-胺; 3-氨基-1,2-苯并异恶唑
• 英文别名: 3-Amino-1,2-benzisoxazole; 1,2-Benzoisoxazol-3-amine; benzo[d]isoxazole-3-ylamine; 3-amino-benzoisoxazole; benz[d]isoxazol-3-ylamine; Benzo[d]isoxazol-3-amine; 1,2-Benzisoxazol-3-amin; 1,2-Benzisoxazol-3-amine; F1935-0009; 1,2-benzoxazol-3-amine; MFCD03407353; benzo[d]isoxazol-3-ylamine; 3-aminobenzisoxazole

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 311.6±15.0 °C at 760 mmHg
• 熔点: 110 °C
• 分子式: C₇H₆N₂O
• 分子量: 134.135
• 闪点: 142.2±20.4 °C
• 精确质量: 134.048019
• PSA: 52.05000
• LogP: 0.35
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.685
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：38.72

  2、 摩尔体积（cm³/mol）：101.8

  3、 等张比容（90.2K）：285.0

  4、 表面张力（dyne/cm）：61.3

  5、 极化率（10-24cm3）：15.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  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:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积52

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:129

  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.熔点（760 mmHg,ºC）：108-109

MSDS

Name: 1 2-Benzisoxazol-3-amine 97% Material Safety Data Sheet Synonym: CAS: 36216-80-5 Section 1 - Chemical Product MSDS Name:1 2-Benzisoxazol-3-amine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 36216-80-5 1,2-Benzisoxazol-3-amine 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# 36216-80-5: 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: Crystals Color: brown Odor: odorless - slight odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 108 - 109 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: C7H6N2O Molecular Weight: 134.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 36216-80-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,2-Benzisoxazol-3-amine - 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# 36216-80-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 36216-80-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 36216-80-5 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): S26-S36/37/39-S37/39
• 海关编码: 2934999090

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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%