4,4'-二氯苯丁酮

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4,4'-二氯苯丁酮 基本信息

中文名称:
4,4'-二氯苯丁酮 
中文别名:
4,4'-二氯苯丁酮;
4,4’-二氯苯丁酮 
英文名称:
1-Butanone,4-chloro-1-(4-chlorophenyl)-
英文别名:
4,4-Dichlorobutyrophenone;
4,4′-Dichlorobutyrophenone;
4-chloro-1-(4-chlorophenyl)butan-1-one;
4,4'-DICHLOROBUTYROPHENONE;
4-Chloro-1-(4-chlorophenyl)butan-1-one 
CAS No.:
40877-09-6
分 子 式:
C10H10Cl2O
分 子 量:
217.09
精确分子量:
216.01100
PSA:
17.07000
MDL:
MFCD00018993
EINECS:
255-123-4
BRN:
879782
InChI:
InChI=1/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
风险术语:
36/37/38
安全术语:
S24/25;
分子结构式:
SDS:
查看

4,4'-二氯苯丁酮 物化性质

外观与性状:
透明黄色至棕色液体在熔点后
密度:
1.224 g/cm3
熔点:
29-30 °C
沸点:
333.8ºC at 760 mmHg
闪点:
140.7ºC
折射率:
1.5600
存储条件/存储方法:

 密封、阴凉、干燥保存

稳定性相关:

常规情况下不会分解,没有危险反应

其它信息:

1.       性状:固体

2.       密度(g/mL,20ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):29-30

5.       沸点(ºC):未确定

6.       沸点(ºC3mm hg):未确定

7.       折射率:1.5600

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC): 未确定

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:不能溶解的

4,4'-二氯苯丁酮 安全信息

海关代码:
2914700090
危险类别码:
R36/37/38
安全说明:
S24/25

4,4'-二氯苯丁酮 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境

4,4'-二氯苯丁酮 MSDS

Name: 4 4 -Dichlorobutyrophenone 97% Material Safety Data Sheet
Synonym: 4-Chloro-1-(4-chlorophenyl)-1-butanon
CAS: 40877-09-6
Section 1 - Chemical Product   MSDS Name:4 4 -Dichlorobutyrophenone 97% Material Safety Data Sheet
Synonym:4-Chloro-1-(4-chlorophenyl)-1-butanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40877-09-6 4,4'-Dichlorobutyrophenone, 97% 97% 255-123-4
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. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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 foam, dry chemical, or carbon dioxide.

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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
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# 40877-09-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: after melting, yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 29 - 30 deg C
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: C10H10Cl2O
Molecular Weight: 217.09

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# 40877-09-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,4'-Dichlorobutyrophenone, 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 40877-09-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40877-09-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40877-09-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4,4'-二氯苯丁酮 海关数据

中国海关编码:2914700090

概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 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, 丙酮报明包装
摘要/Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

4,4'-二氯苯丁酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3.1

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积17.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:162

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

4,4'-二氯苯丁酮 上游产品

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产品介绍:
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