3'-氯乙酰苯胺

  • 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
  • 表征图谱

3'-氯乙酰苯胺 基本信息

中文名称:
3'-氯乙酰苯胺 
中文别名:
3-氯乙酰苯胺;
3'-氯乙酰苯胺;
3’-氯乙酰苯胺 
英文名称:
Acetamide,N-(3-chlorophenyl)-
英文别名:
3'-CHLOROACETANILIDE;
N-(3-chlorophenyl)acetamide;
3'-Chloroacetanilide 
CAS No.:
588-07-8
分 子 式:
C8H8ClNO
分 子 量:
169.61
精确分子量:
169.02900
PSA:
29.10000
MDL:
MFCD00016341
EINECS:
209-610-3
BRN:
2208105
InChI:
InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
危险品标志:
Xi
风险术语:
R36/37/38
安全术语:
S26-37/39
分子结构式:
SDS:
查看

3'-氯乙酰苯胺 物化性质

密度:
1.261g/cm3
熔点:
79-81 °C(lit.)
沸点:
172 °C / 0.8mmHg
闪点:
154.1°C
折射率:
1.59
存储条件/存储方法:
库房低温通风干燥
稳定性相关:

稳定性和反应性:

要避免的物料:氧化物。

要分解的产品:一氧化碳和二氧化碳,氧化氮,氯化氢。

其它信息:

一、物性数据

1.       熔点(ºC):79-81

3'-氯乙酰苯胺 安全信息

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:
36/37/38
安全说明:
S26-S37/39
RTECS号:
AE1000100
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。
:
危险标志:
Xi

3'-氯乙酰苯胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AE1000100
CHEMICAL NAME :
Acetanilide, 3'-chloro-
CAS REGISTRY NUMBER :
588-07-8
BEILSTEIN REFERENCE NO. :
2208105
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H8-Cl-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,204,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
610 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,204,1959
毒理学数据:

急性毒性:

3'-氯乙酰苯胺 MSDS

Name: 3 -Chloroacetanilide 98% Material Safety Data Sheet
Synonym: Acetamide, N-(3-Chlorophenyl)-; M-Chloroacetanilide
CAS: 588-07-8
Section 1 - Chemical Product   MSDS Name:3 -Chloroacetanilide 98% Material Safety Data Sheet
Synonym:Acetamide, N-(3-Chlorophenyl)-; M-Chloroacetanilide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
588-07-8 3'-Chloroacetanilide 98% 209-610-3
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.
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. Runoff from fire control or dilution water may cause pollution.
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:
Vacuum or sweep up material and place into a suitable disposal 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. Remove contaminated clothing and wash before reuse. 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# 588-07-8: 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:
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: Granules
Color: off-white to beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77.00 - 79.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: practically insoluble
Specific Gravity/Density:
Molecular Formula: C8H8ClNO
Molecular Weight: 169.61

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 588-07-8: AE1000100 LD50/LC50:
Not available.
Carcinogenicity:
3'-Chloroacetanilide - 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# 588-07-8: No information available.
Canada
CAS# 588-07-8 is listed on Canada's NDSL List.
CAS# 588-07-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 588-07-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3'-氯乙酰苯胺 海关数据

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%

3'-氯乙酰苯胺 分子结构与计算化学数据

分子结构数据

分子性质数据:

1   摩尔折射率:45.41

2   摩尔体积(m3/mol):134.4

3   等张比容(90.2K):346.8

4   表面张力(dyne/cm):44.2

5 极化率(10-24cm3):18.00

计算化学数据

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:3

6.拓扑分子极性表面积29.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:149

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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