13692-14-3

• 常用中文名：Alpha-(氯甲基)-2,4-二氯苯甲醇
• 常用英文名：2-CHLORO-1-(2,4-DICHLOROPHENYL)ETHANOL
• CAS号：13692-14-3
• 分子式：C₈H₇Cl₃O
• 分子量：225.50000
• 发布时间：2018-12-16 18:42:30
• 更新时间：2024-01-02 12:23:53
• 咪康唑、益康唑的中间体。
  

名称

• 中文名: Alpha-(氯甲基)-2,4-二氯苯甲醇
• 英文名: α-(CHLOROMETHYL)-2,4-DICHLOROBENZYL ALCOHOL
• 中文别名: 2-氯-1-(2,4-二氯苯基)乙醇; 2,4-二氯-Alpha-氯甲基苯甲醇; Α-(氯甲基)-2,4-二氯苯甲醇
• 英文别名: 1-(2',4'-dichlorophenyl)-2-chloro-ethanol; 2,4-Dichloro-alpha-(Chloromethyl)-Benzenemethanol; alpaha-(chloromethyl)-2,4-dichlorobenzylalcohol; (+-)-2-chloro-(2',4'dichlorophenyl)-1-ethanol; MFCD00000950; EINECS 237-206-7; 2,4-Dichloro-alpha-(chloromethyl)benzyl alcohol; 2-chloro-1-(2,4-dichloro-phenyl)-ethanol; 2,4-Dichloro-chloromethylbenzenemethanol

物化性质

• 密度: 1.447g/cm3
• 沸点: 323.3ºC at 760mmHg
• 熔点: 48-52ºC
• 分子式: C₈H₇Cl₃O
• 分子量: 225.50000
• 闪点: 149.3ºC
• 精确质量: 223.95600
• PSA: 20.23000
• LogP: 3.26560
• 蒸汽压: 0.000109mmHg at 25°C
• 折射率: 1.581
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：51.97

  2、 摩尔体积（m³/mol）：155.7

  3、 等张比容（90.2K）：409.4

  4、 表面张力（3.0 dyne/cm）：47.7

  5、 极化率（0.5 10 ^-24cm ³）：20.60

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:142

  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:1

  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：晶体

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：48-52

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：＞110

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: alpha-(Chloromethyl)-2 4-dichlorobenzyl alcohol 98% Material Safety Data Sheet Synonym: CAS: 13692-14-3 Section 1 - Chemical Product MSDS Name:alpha-(Chloromethyl)-2 4-dichlorobenzyl alcohol 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13692-14-3 alpha-(Chloromethyl)-2,4-dichlorobenzy 98% 237-206-7 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause 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. Skin: 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: 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. Exposure Limits CAS# 13692-14-3: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: light yellow or beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 52 - 54 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: C8H7Cl3O Molecular Weight: 225.50 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids - acid chlorides - acid anhydrides - oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13692-14-3 unlisted. LD50/LC50: Not available. Carcinogenicity: alpha-(Chloromethyl)-2,4-dichlorobenzyl alcohol - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 13692-14-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13692-14-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13692-14-3 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 安全声明 (欧洲): 24/25
• 海关编码: 2906299090

合成路线

4252-78-2 ~87% 13692-14-3

文献：Mangas-Sanchez, Juan; Busto, Eduardo; Gotor-Fernandez, Vicente; Malpartida, Francisco; Gotor, Vicente Journal of Organic Chemistry, 2011 , vol. 76, # 7 p. 2115 - 2122

上下游产品

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4252-78-2
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制备

用1-2,4-三氯苯乙酮经氢化还原制得。

海关

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%