4-氰基-2-(三氟甲基)N-乙酰苯胺

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

4-氰基-2-(三氟甲基)N-乙酰苯胺 基本信息

中文名称:
4-氰基-2-(三氟甲基)N-乙酰苯胺 
中文别名:
4-氰基-2-(三氟甲基)N-乙酰苯胺;
4-氰基-2-三氟甲基苯基乙酰胺;
4-氰基-2-(三氟甲基)N-乙酰苯胺 
英文名称:
Acetamide,N-[4-cyano-2-(trifluoromethyl)phenyl]-
英文别名:
4-Cyano-2-(trifluoromethyl)acetanilide;
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide 
CAS No.:
175277-96-0
分 子 式:

C10H7F3N2O

分 子 量:
228.18
精确分子量:
228.05100
PSA:
52.89000
InChI:
The Key: OBFBGHKUUCGSPC-UHFFFAOYSA-N
危险品标志:

 

风险术语:

R20/21/22R36/37/38

安全术语:

S26S36

分子结构式:
SDS:
查看

4-氰基-2-(三氟甲基)N-乙酰苯胺 物化性质

密度:
1.375g/cm3
熔点:
169ºC
沸点:
199.8ºC at 760mmHg
闪点:
74.6ºC
折射率:
1.493
蒸汽压:
1.17E-05mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):169

5.      沸点(ºC,常压):未确定

6.      沸点(ºC15 mmHg):未确定

7.      折射率:未确定

8.      闪点(ºC15 mmHg ):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:未确定

4-氰基-2-(三氟甲基)N-乙酰苯胺 安全信息

危险类别码:
R20/21/22
安全说明:
26-36
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。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

4-氰基-2-(三氟甲基)N-乙酰苯胺 MSDS

Name: N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym: 2-Acetamido-5-cyanobenzotrifluorid
CAS: 175277-96-0
Section 1 - Chemical Product   MSDS Name:N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:2-Acetamido-5-cyanobenzotrifluorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
175277-96-0 N1-[4-Cyano-2-(trifluoromethyl)phenyl] 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. 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:
Get medical aid. 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. 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175277-96-0: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 169 - 171 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: C10H7F3N2O
Molecular Weight: 228

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 175277-96-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-[4-Cyano-2-(trifluoromethyl)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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 175277-96-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175277-96-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175277-96-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-氰基-2-(三氟甲基)N-乙酰苯胺 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):无

2.氢键供体数量:1

3.氢键受体数量:5

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52.9

7.重原子数量:16

8.表面电荷:0

9.复杂度:318

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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