24966-39-0

• 常用中文名：2,6-二氯苯硫酚
• 常用英文名：2,6-Dichlorobenzenethiol
• CAS号：24966-39-0
• 分子式：C₆H₄Cl₂S
• 分子量：179.067
• 相关类别： 化学试剂 有机试剂 硫醇/硫酚
• 发布时间：2018-03-04 08:00:00
• 更新时间：2024-01-02 09:48:53

名称

• 中文名: 2,6-二氯苯硫酚
• 英文名: 2,6-dichlorobenzenethiol
• 中文别名: 2,6-二氯硫酚
• 英文别名: 2,6-dichlorothiphenol; 2,6-Dichlorobenzenethiol; Benzenethiol, 2,6-dichloro-; 2,6-dichlorthiophenol; 2,6-dichlorobenzene-1-thiol; EINECS 416-720-7; SHR BG FG; MFCD00004833; 2,6-dichlorophenylthiol; 2,6-Dichlorothiophenol

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 246.1±20.0 °C at 760 mmHg
• 熔点: 48-50 °C(lit.)
• 分子式: C₆H₄Cl₂S
• 分子量: 179.067
• 闪点: 97.5±21.2 °C
• 精确质量: 177.941071
• PSA: 38.80000
• LogP: 4.04
• 外观性状: 黄色晶体或大块
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.620
• 储存条件:

  密闭，阴凉，通风干燥处，

• 稳定性:

  遵照规定使用和储存则不会分解。未有已知的危险反应

  避免氧化剂

• 分子结构:

  1、摩尔折射率：不确定

  2、 摩尔体积（cm³/mol）：不确定

  3、 等张比容（90.2K）：不确定

  4、 表面张力（dyne/cm）：不确定

  5、 极化率：不确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  2.氢键供体数量:1

  3.氢键受体数量:1

  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1

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:87.1

  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：白色或黄色还有恶臭味的晶体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC，常压）：46-48

  5. 沸点（ºC,12mmHg）：99-101

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC）：112

  9. 比旋光度（[α]20/D，º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,78ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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(g/l,水，at 20 ºC)：未确定

MSDS

Name: 2 6-Dichlorobenzenethiol 97% Material Safety Data Sheet Synonym: CAS: 24966-39-0 Section 1 - Chemical Product MSDS Name:2 6-Dichlorobenzenethiol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 24966-39-0 2,6-dichlorobenzenethiol, 97% 97 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Stench.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: No information regarding eye irritation and other potential effects was found. Skin: No information regarding skin irritation and other potential effects was found. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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 agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. 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# 24966-39-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 95.0 - 100.0 deg C @ 3.00mm H Freezing/Melting Point: 48.00 - 50.00 deg C Autoignition Temperature: Not available. Flash Point: 112 deg C ( 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H4Cl2S Molecular Weight: 179.06 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 24966-39-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,6-dichlorobenzenethiol, 97% - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 24966-39-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 24966-39-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 24966-39-0 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

毒理学数据: 急性毒性：大鼠经口LD50：2400 mg/kg 生态学数据: 对水是稍微危害的，不要让未稀释或大量的产品接触地下水、水稻或污水系统体 若无政府许可，勿将材料排入周围环境

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-S37/39
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2930909090

合成路线

6579-54-0 ~% 24966-39-0

文献：Journal of Heterocyclic Chemistry, , vol. 11, p. 257,258-262

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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%