2,5-二氯苯甲基氯

2,5-二氯苯甲基氯 基本信息
CAS号 2745-49-5 分子式 C7H5Cl3
分子量 195.47400 精确质量 　193.94600
PSA 　0.00000 LogP 　3.73220
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2745-49-5
3D弹球模型：
立即前往扯扯看
分子式：
C7H5Cl3
分子量：
195.47400
中文名称：
2,5-二氯苯甲基氯
英文名称：
2,5-DICHLOROBENZYL CHLORIDE
中文别名：
2,5-二氯苯甲基氯;
2,5-二氯苄基氯;
2,5-二氯氯苄
英文别名：
2,5-DICHLOROBENZYL CHLORIDE;
2,4-DIETHYL-1,3-BENZENEDIOL;
1,4-Dichloro-2-(chloromethyl)benzene;
2,5-dichloro-benzyl chloride;
2,5-Dichlor-benzylchlorid;
2,5-DICHLOROBENZYL C;
1,4-dichloro-2-chloromethyl-benzene
精确分子量/精确质量：
193.94600
极性分子表面积/PSA：
0.00000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00035818
EINECS：
220-382-4
BRN：
637802
InChI：
The Key: OMZINLIPPVNUOG-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

对二氯苯经氯甲基化得到。

合成制备方法

对二氯苯经氯甲基化得到。

用途简介

农药、医药中间体。

用途

农药、医药中间体。

物化性质展开↓

外观与性状：
透明无色至淡的黄色液体
密度：
1.386g/cm3
沸点：
121-124 °C (14 mmHg)
闪点：
121-124°C/14mm
折射率：
1.574-1.576
蒸汽压：
0.044mmHg at 25°C
存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

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）：无可用

5.       沸点（ºC,常压）：121-124

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.574-1.576

8.       闪点（ºC）：121-124

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

安全信息展开↓

包装等级：
II
风险类别：
8
海关代码：
2903999090
危险类别码：
R34
安全说明：
S45-S36/37/39-S26
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
C

合成路线查看所有的合成路线

  • 19398-61-9

    2,5-二氯甲苯

  • →

  • 2745-49-5

    2,5-二氯苯甲基氯

  • 106-46-7

    对二氯苯

  • +

  • 107-30-2

    氯甲基甲基醚

  • →

  • 50987-90-1

    1,4-dichloro-2,5-bis(chloromethyl)benzene

  • +

  • 2745-49-5

    2,5-二氯苯甲基氯

  • 34145-05-6

    2,5-二氯苯甲醇

  • →

  • 2745-49-5

    2,5-二氯苯甲基氯

毒理性展开↓

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 2 5-Dichlorobenzyl chloride Material Safety Data Sheet
Synonym:
CAS: 2745-49-5
Section 1 - Chemical Product   MSDS Name:2 5-Dichlorobenzyl chloride Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2745-49-5 2,5-Dichlorobenzyl chloride 220-382-4
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.
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# 2745-49-5: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 121 - 124 deg C @14mmHg
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:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5Cl3
Molecular Weight: 195.48
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2745-49-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dichlorobenzyl chloride - 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
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 2745-49-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2745-49-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2745-49-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2903999090

概述：
2903999090 其他芳烃卤化衍生物. 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
摘要/Summary：
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：45.80

2、   摩尔体积（m3/mol）：141.0

3、   等张比容（90.2K）：354.2

4、   表面张力（dyne/cm）：39.8

5、   极化率（10-24cm3）：18.15

计算化学数据

1.疏水参数计算参考值（XlogP）:3.6

2.氢键供体数量:0

3.氢键受体数量:0

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0

7.重原子数量:10

8.表面电荷:0

9.复杂度:105

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

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