28479-19-8

• 常用中文名：3-(甲基硫代)苯基异氰酸酯
• 常用英文名：3-(methylthio)phenylisocyanate
• CAS号：28479-19-8
• 分子式：C₈H₇NOS
• 分子量：165.212
• 发布时间：2018-05-05 08:00:00
• 更新时间：2024-01-02 13:26:54

名称

• 中文名: 3-(甲基硫代)异氰酸苯酯
• 英文名: 1-isocyanato-3-methylsulfanylbenzene
• 中文别名: 3-(甲基硫代)苯基异氰酸酯; 3-(甲硫基)苯基异氰酸酯; 3-(甲硫基)苯基异氰酸酯
• 英文别名: 3-thiomethyl-phenylisocyanate; Benzene, 1-isocyanato-3-(methylthio)-; 3-(Methylthio)phenyl isocyanate; 3-(methylthio)phenylisocyanate; MFCD00013863; 1-isocyanato-3-(methylthio)benzene; 3-Methylthiophenyl isocyanate; 1-Isocyanato-3-(methylsulfanyl)benzene; 3-Isocyanatophenyl methyl sulfide; 3-methylsulfanyl-phenyl isocyanate; 3-methylthiobenzenisocyanate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 253.2±23.0 °C at 760 mmHg
• 分子式: C₈H₇NOS
• 分子量: 165.212
• 闪点: 106.9±22.6 °C
• 精确质量: 165.024841
• PSA: 54.73000
• LogP: 3.15
• 外观性状: 浅黄色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.566
• 储存条件:

  冷藏保存

• 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）:3.2

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积54.7

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:166

  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：有刺激性的灰黄色液体

  2. 密度（g/mL,20℃）：1.199

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, 0.67KPa）：129-130

  7. 折射率：n20/D 1.603

  8. 闪点（ºC）：>110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：113

  11. 蒸气压（Pa,23ºC）：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：可溶于水

MSDS

Name: 3-(Methylthio)phenyl isocyanate 97% Material Safety Data Sheet Synonym: CAS: 28479-19-8 Section 1 - Chemical Product MSDS Name:3-(Methylthio)phenyl isocyanate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28479-19-8 3-(Methylthio)phenyl isocyanate 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.Air sensitive. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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. Store under nitrogen. 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# 28479-19-8: 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 129 - 130 deg C @5mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.199 Molecular Formula: C8H7NOS Molecular Weight: 165 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Oxidizing agents, reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28479-19-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(Methylthio)phenyl isocyanate - 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: ISOCYANATE SOLUTION, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 2206 Packing Group: III IMO Shipping Name: ISOCYANATE SOLUTION, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 2206 Packing Group: III RID/ADR Shipping Name: ISOCYANATE SOLUTION, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 2206 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# 28479-19-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28479-19-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28479-19-8 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: 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。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/22;R36/37/38;R42
• 安全声明 (欧洲): S23-S26-S36
• 危险品运输编码: UN 2922 8/PG 2
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2930909090

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海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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:30.0%
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