13692-14-3 (2,4-二氯-α-氯甲基苯甲醇,a-(Chloromethyl)-2,4-dichlorobenzyl Alcohol)

快速询单

结构式：

2,4-二氯-α-氯甲基苯甲醇MOL文件

CAS号：

13692-14-3

中文名称：

2,4-二氯-α-氯甲基苯甲醇

英文名称：

a-(Chloromethyl)-2,4-dichlorobenzyl Alcohol

分子式：

C₈H₇Cl₃O

分子量：

225.499579668045

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)名称与标识符

名称

中文别名：

2,4-二氯-α-氯甲基苯甲醇;2-氯-1-(2,4-二氯苯基)乙醇;α-氯甲基-2,4-二氯苄醇;α-(氯甲基)-2,4-二氯苯甲醇;三聚磷酸钾;五水磷酸镁;2,4-二氯-Alpha-氯甲基苯甲醇;ALPHA-(氯甲基)-2,4-二氯苯甲醇;2,4-DICHLORO-ALPHA-(CHLOROMETHYL)BENZYL ALCOHOL 2,4-二氯-Α-氯甲基苯甲醇;

英文别名：

2-Chloro-1-(2,4-dichlorophenyl)ethanol;-(Chloromethyl)-2,4-dichlorobenzylalcohol;2,4-Dichloro-alpha-(chloromethyl)benzyl alcohol;2,4-Dichloro-chloromethylbenzenemethanol;alpha-(2,4-Dichlorophenyl)-beta-chloroethanol;Benzyl alcohol, 2,4-dichloro-alpha-(chloromethyl)-;ALPHA-(CHLOROMETHYL)-2,4-DICHLOROBENZYL ALCOHOL;alpaha-(chloromethyl)-2,4-dichlorobenzylalcohol;Benzenemethanol,2,4-dichloro-a-(chloromethyl)-;α-(Chloromethyl)-2,4-dichlorobenzyl Alcohol;(+-)-2-chloro-(2',4'dichlorophenyl)-1-ethanol;1-(2',4'-dichlorophenyl)-2-chloro-ethanol;2,4-Dichloro-alpha-(Chloromethyl)-Benzenemethanol;2-chloro-1-(2,4-dichloro-phenyl)-ethanol;2,4-Dichloro-A-Chloromethylbenzenemethanol;Benzenemethanol,2,4-dichloro-α-(chloromethyl)-;2,4-DICHLORO-ALPHA-CHLOROMETHYLBENZENEMETHANOL;Benzenemethanol, 2,4-dichloro-.alpha.-(chloromethyl)-;NS00052292;DTXSID00929580;AKOS005207208;CS-0268821;13692-14-3;BCP09385;E78320;SY193625;SY195790;FT-0740107;FT-0696616;2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol;2,4-Dichloro-.alpha.-(chloromethyl)benzyl alcohol;Benzyl alcohol, 2,4-dichloro-.alpha.-(chloromethyl)-;.alpha.-(Chloromethyl)-2,4-dichlorobenzyl alcohol;MFCD00000950;EN300-295982;MFCD07776655;2,4-dichloro-alpha-(chloromethyl)-benzyl alcohol;A886600;.alpha.-(2,4-Dichlorophenyl)-.beta.-chloroethanol;(-)-2-chloro-1-(2', 4'-dichlorophenyl) ethanol;EINECS 237-206-7;SCHEMBL3124491;AS-63697;MFCD09863567;DA-18273;a-(chloromethyl)-2,4-dichlorobenzyl alcohol;2,4-Dichloro-a-(chloromethyl)benzyl Alcohol; 2,4-Dichloro-a-chloromethylbenzenemethanol; 2-Chloro-1-(2,4-dichlorophenyl)ethanol;(R)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol;

标识符

MDL：

MFCD00000950

InChIKey：

XHEPANNURIQWRM-UHFFFAOYSA-N

Inchi：

1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2

SMILES：

ClCC(C1C=CC(=CC=1Cl)Cl)O

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)物化性质

实验特性

LogP : 3.26560
PSA : 20.23000
折射率 : 1.5510 (estimate)
沸点 : 323.04°C (rough estimate)
熔点 : 48-52 °C
蒸气压 : 0.0±0.7 mmHg at 25°C
闪点 : 149.3±26.5 °C
颜色与性状 : 晶体
溶解性 : 无可用
密度 : 1.4250 (rough estimate)

计算特性

精确分子量 : 223.95600
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 223.956248
重原子数量 : 12
复杂度 : 142
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.9
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 20.2

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)安全信息

安全术语： S24/25
安全说明： S24/25
危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
信号词： warning

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)国际标准相关数据

EINECS：

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)海关数据

海关编码：

2906299090

海关数据：

中国海关编码：

2906299090

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%

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)推荐厂家更多厂家(23)

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2,4-二氯-α-氯甲基苯甲醇(13692-14-3)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Calcium chloride Solvents: Methanol ; 30 min, 25 °C
1.2 Reagents: Sodium hydroxide , Sodium borohydride Solvents: Water ; rt; 10 min, 65 °C
1.3 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Effect of metal chlorides on the reduction of α-chloroacetophenones with sodium borohydride

Wang, Ming-Hui; et al, Youji Huaxue, 2005, 25(12), 1548-1551

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)上下游

2-(2,4-二氯苯基)-1-氢咪唑-1-乙醇

2,4-二氯-α-氯甲基苯甲醇(13692-14-3)相关文献

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2,4-二氯-α-氯甲基苯甲醇(13692-14-3)参考资料

Reaxys RN：

PubChem CID：

94351

2,4-二氯-α-氯甲基苯甲醇(13692-14-3) MSDS

基础信息

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