33775-94-9

• 常用中文名：2-碘茴香硫醚
• 常用英文名：2-Iodothioanisole
• CAS号：33775-94-9
• 分子式：C₇H₇IS
• 分子量：250.100
• 相关类别： 化学试剂 有机试剂 硫醇/硫酚
• 发布时间：2018-08-19 13:28:12
• 更新时间：2024-01-15 19:03:20

名称

• 中文名: 2-碘茴香硫醚
• 英文名: 1-iodo-2-methylsulfanylbenzene
• 中文别名: 2-碘硫代苯甲醚
• 英文别名: 2-(methylsulfanyl)iodobenzene; 2-Iodothioanisole; Benzene, 1-iodo-2-(methylthio)-; o-iodothioanisole; 1-iodo-2-(methylthio)benzene; 2-(methylthio)iodobenzene; 1-Iodo-2-(methylsulfanyl)benzene; 2-Iodophenyl methyl sulfide; MFCD00051611

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 253.0±23.0 °C at 760 mmHg
• 分子式: C₇H₇IS
• 分子量: 250.100
• 闪点: 106.8±22.6 °C
• 精确质量: 249.931305
• PSA: 25.30000
• LogP: 3.90
• 外观性状: 无色至黄色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.671
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 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、光
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  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25.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:85

  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：液体

  2. 密度（g/mL,20℃）：未确定

  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,0.4KPa）：129-131

  7. 折射率：n20/D 1.682

  8. 闪点（ºC）：129-131

  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（Pa,20ºC）：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：未确定

MSDS

Name: 1-Iodo-2-(methylthio)benzene 95+% Material Safety Data Sheet Synonym: CAS: 33775-94-9 Section 1 - Chemical Product MSDS Name:1-Iodo-2-(methylthio)benzene 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 33775-94-9 1-Iodo-2-(methylthio)benzene 95+% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: 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. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 33775-94-9: 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: purple Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 129 - 131 deg C @3mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C7H7IS Molecular Weight: 250 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen iodide, iodine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 33775-94-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Iodo-2-(methylthio)benzene - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 33775-94-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 33775-94-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 33775-94-9 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): C
• 风险声明 (欧洲): R35:Causes severe burns. R34:Causes burns. R21/22:Harmful in contact with skin and if swallowed .
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3261 8/PG 2
• WGK德国: 1
• RTECS号: UE8750000
• 包装等级: III
• 危险类别: 8
• 海关编码: 29159080

海关

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%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%