1777-82-8

• 常用中文名：2,4-二氯苄醇
• 常用英文名：2,4-DICHLOROBENZYLALCOHOL
• CAS号：1777-82-8
• 分子式：C₇H₆Cl₂O
• 分子量：177.028
• 相关类别： 化学试剂 有机试剂 芳香醇
• 发布时间：2018-09-08 23:09:09
• 更新时间：2024-01-01 17:58:10
• 2,4-Dichlorobenzyl alcohol 是一种温和的杀菌剂,对口腔和咽喉感染的细菌和病毒有广泛的抗病毒作用。

名称

• 中文名: 2,4-二氯苄醇
• 英文名: 2,4-dichlorobenzyl alcohol
• 中文别名: 2,4-二氯苯甲醇; 2,4-二氯苯甲醇
• 英文别名: MFCD00004606; 2,4-dichlorbenzyl alcohol; EINECS 217-210-5; Benzenemethanol, 2,4-dichloro-; Benzenemethanol,2,4-dichloro; 2,4-Dichlorobenzyl alcohol; 2,4-DICHLOROBENZYLALCOHOL; (2,4-Dichlorophenyl)methanol

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 268.4±25.0 °C at 760 mmHg
• 熔点: 55-58 °C(lit.)
• 分子式: C₇H₆Cl₂O
• 分子量: 177.028
• 闪点: 115.0±17.2 °C
• 精确质量: 175.979568
• PSA: 20.23000
• LogP: 2.24
• 外观性状: 白色-淡黄色晶体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.583
• 储存条件:

  严密密封容器贮藏，储存在阴凉、干燥的地方；

• 稳定性:

  常温常压稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:1

  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:10

  8.表面电荷:0

  9.复杂度:108

  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：白色或淡黄色晶体

  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）：57-61

  5. 沸点（ºC/25mmHg ）：150

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：>110

  11. 蒸气压（kPa,25ºC）： 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：对水0.1% (20 ºC)，溶于无水乙醇、甲醇、丙二醇、丙醇、二甲基亚砜等有机溶剂。

生物活性

• 描述: 2,4-Dichlorobenzyl alcohol 是一种温和的杀菌剂,对口腔和咽喉感染的细菌和病毒有广泛的抗病毒作用。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 细菌
• 参考文献:

  [1]. Morokutti-Kurz M , et al. Amylmetacresol/2,4-dichlorobenzyl alcohol, hexylresorcinol, or carrageenan lozenges as active treatments for sore throat. Int J Gen Med. 2017 Feb 28;10:53-60.

  [2]. Matthews D, et al. Spectrum of bactericidal action of amylmetacresol/2,4-dichlorobenzyl alcohol lozenges against oropharyngeal organisms implicated in pharyngitis. Int J Gen Med. 2018 Nov 28;11:451-456.

MSDS

Name: 2 4-Dichlorobenzyl Alcohol 99% Material Safety Data Sheet Synonym: Dybenal(R CAS: 1777-82-8 Section 1 - Chemical Product MSDS Name:2 4-Dichlorobenzyl Alcohol 99% Material Safety Data Sheet Synonym:Dybenal(R Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1777-82-8 2,4-Dichlorobenzyl Alcohol 99% 217-210-5 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: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 1777-82-8: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: white - light yellow Odor: characteristic odor - faint odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 150 deg C @ 25.00mm Hg Freezing/Melting Point: 55 - 58 deg C Autoignition Temperature: Not applicable. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: IN WATER: 0.1% (20C) Specific Gravity/Density: Molecular Formula: C7H6Cl2O Molecular Weight: 177.03 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1777-82-8: DO0890000 LD50/LC50: CAS# 1777-82-8: Oral, mouse: LD50 = 2300 mg/kg. Carcinogenicity: 2,4-Dichlorobenzyl Alcohol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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. 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# 1777-82-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1777-82-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1777-82-8 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

毒理学数据: 1、急性毒性：小鼠经口LC：2300mg/kg；小鼠经皮下LC50：1700mg/kg； 2、刺激眼睛、皮肤和粘膜。 CHEMICAL IDENTIFICATION RTECS NUMBER : DO0890000 CHEMICAL NAME : Benzyl alcohol, 2,4-dichloro- CAS REGISTRY NUMBER : 1777-82-8 BEILSTEIN REFERENCE NO. : 1448652 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C7-H6-Cl2-O MOLECULAR WEIGHT : 177.03 WISWESSER LINE NOTATION : Q1R BG DG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 95(6),59,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 95(6),59,1980

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: DO0890000
• 海关编码: 29062900

合成路线

874-42-0 ~98% 1777-82-8

文献：Kouhkan, Mehri; Zeynizadeh, Behzad Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 10 p. 2961 - 2966

874-42-0 ~% 1777-82-8 50-84-0

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 51, p. 98,109

94-99-5 ~95% 1777-82-8

文献：The Boots Company Limited Patent: US4387253 A1, 1983 ;

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制备

1.苯甲醇在浓盐酸存在下与氯气发生加成反应制得。

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%