2-氯乙酰氨基-2’,5-二氯二苯甲酮

2-氯乙酰氨基-2’,5-二氯二苯甲酮 基本信息
CAS号 14405-03-9 分子式 C15H10Cl3NO2
分子量 342.60400 精确质量  340.97800
PSA  46.17000 LogP  4.47470

基本信息 展开↓

CAS号:
14405-03-9
3D弹球模型:
立即前往扯扯看
分子式:
C15H10Cl3NO2
分子量:
342.60400
中文名称:
2-氯乙酰氨基-2’,5-二氯二苯甲酮
英文名称:
2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide
中文别名:
2-氯乙酰氨基-2’,5-二氯二苯甲酮;
2-氯-N-[4-氯-2-(2-氯苯甲酰基)苯基]乙酰胺;
2`-(2-氯苯甲酰基)-2,4`-二氯乙酰苯胺;
2-氯乙酰氨基-2',5-二氯二苯甲酮
英文别名:
2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide;
N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide;
2-chloroacetamido-5,2'-dichlorobenzophenone;
2'-(2-chlorobenzoyl)-2,4'-dichloro-acetanilide;
2-(2-chloroacetamide)-2,5-dichlorobenzophenone;
2,4'-dichloro-2'-o-chlorobenzoylacetanilide
精确分子量/精确质量:
340.97800
极性分子表面积/PSA:
46.17000
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。
EINECS:
238-376-5
InChI:
InChI=1/C15H10Cl3NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

物化性质展开↓

外观与性状:
黄色固体
密度:
1.452 g/cm3
熔点:
159-161 °C(lit.)
沸点:
565ºC at 760 mmHg
闪点:
295.5ºC
折射率:
1.639
蒸汽压:
8.66E-13mmHg at 25°C
存储条件/存储方法:

贮存于阴凉处。保持容器密闭在干燥和通风良好的地方。

其它信息:

1.性状:不可用

2.密度(g/mL,25/4): 不可用

3.相对蒸汽密度(g/mL,空气=1)不可用

4.熔点(ºC):159-161

5.沸点(ºC,常压):不可用

6.沸点(ºC,5.2kPa): 不可用

7.折射率: 不可用

8.闪点(ºC): 不可用

9.比旋光度(º): 不可用

10.自燃点或引燃温度(ºC): 不可用

11.蒸气压(kPa,25ºC): 不可用

12.饱和蒸气压(kPa,60ºC): 不可用

13.燃烧热(KJ/mol):不可用

14.临界温度(ºC): 不可用

15.临界压力(KPa): 不可用

16.油水(辛醇/水)分配系数的对数值:不可用 

17.爆炸上限(%,V/V):不可用

18.爆炸下限(%,V/V): 不可用

19.溶解性:不可用

安全信息展开↓

海关代码:
2924299090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34
安全说明:
S26-S36/37/39-S45
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 79-04-9

    一氯代乙酰氯

  • +

  • 2958-36-3

    2-氨基-2',5-二氯二苯酮

  • ~95%

  • 14405-03-9

    2-氯乙酰氨基-2’,5-二氯二苯甲酮

  • 609-65-4

    邻氯苯甲酰氯

  • 14405-03-9

    2-氯乙酰氨基-2’,5-二氯二苯甲酮

  • 106-47-8

    对氯苯胺

  • 14405-03-9

    2-氯乙酰氨基-2’,5-二氯二苯甲酮

毒理性展开↓

毒理学数据:

急性毒性:不可用 。

生态数据:

1、其它有害作用: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-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:
CAS: 14405-03-9
Section 1 - Chemical Product   MSDS Name:2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14405-03-9 2-Chloro-N-[4-chloro-2-(2-chlorobenzoy 97% 238-376-5
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
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:
Do not induce vomiting. Get medical aid immediately.
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 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:
Vacuum or sweep up material and place into a suitable disposal 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# 14405-03-9: 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: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 161 - 163 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: C15H10Cl3NO2
Molecular Weight: 343

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14405-03-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide - 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# 14405-03-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14405-03-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14405-03-9 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:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. 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:84.95

2、   摩尔体积(cm3/mol):235.9

3、   等张比容(90.2K):640.8

4、   表面张力(dyne/cm):54.4

5、   极化率:33.67

6、   介电常数:未确定

计算化学数据


1.疏水参数计算参考值(XlogP):4.9

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:9

6.拓扑分子极性表面积46.2

7.重原子数量:21

8.表面电荷:0

9.复杂度:391

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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