175277-96-0 (4-氰基-2-三氟甲基苯基乙酰胺,N-4-Cyano-2-(trifluoromethyl)phenylacetamide)

CAS号:
175277-96-0
中文名称:
4-氰基-2-三氟甲基苯基乙酰胺
英文名称:
N-4-Cyano-2-(trifluoromethyl)phenylacetamide
分子式:
C10H7F3N2O
分子量:
228.170592546463

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0)名称与标识符

名称

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)乙酰苯胺;4-氰基-2-三氟甲基苯基乙酰胺;
英文别名:
N-(4-Cyano-2-(trifluoromethyl)phenyl)acetamide;4-Cyano-2-(trifluoromethyl)acetanilide;Acetamide,N-[4-cyano-2-(trifluoromethyl)phenyl]-;N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide;N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide;2-ACETAMIDO-5-CYANOBENZOTRIFLUORIDE;4'-CYANO-2'-(TRIFLUOROMETHYL)ACETANILIDE;4-ACETAMIDO-3-(TRIFLUOROMETHYL)BENZONITRILE;N-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide, 4-Acetamido-3-(trifluoromethyl)benzonitrile;4'-Cyano-2'-(trifluoromethyl)acetanilide98%;4'-Cyano-2'-(trifluoromethyl)acetanilide 98%;Acetamide, N-[4-cyano-2-(trifluoromethyl)phenyl]-;SB79661;CS-0214701;AKOS009101376;4-cyano-2-trifluoromethylacetanilide;MFCD00052844;Z216976536;4-cyano-2-(trifluoromethyl)acetanilide, AldrichCPR;D87942;DTXSID60371566;175277-96-0;FS-1071;OBFBGHKUUCGSPC-UHFFFAOYSA-N;A812034;SCHEMBL3311500;EN300-186844;MixCom1_000145;Maybridge1_000079;FT-0610926;Y3N;

标识符

MDL:
MFCD00052844
InChIKey:
OBFBGHKUUCGSPC-UHFFFAOYSA-N
Inchi:
1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
SMILES:
FC(C1C=C(C#N)C=CC=1NC(C)=O)(F)F

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0)物化性质

实验特性

  • LogP : 2.60848
  • PSA : 52.89000
  • 折射率 : 1.493
  • 沸点 : 199.8°Cat760mmHg
  • 熔点 : 169 °C
  • 闪点 : 74.6°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.375

计算特性

  • 精确分子量 : 228.05100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 228.051
  • 重原子数量 : 16
  • 复杂度 : 318
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 52.9A^2

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0)安全信息

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单
江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0)参考资料

Reaxys RN:
PubChem CID:

4-氰基-2-三氟甲基苯基乙酰胺(175277-96-0) MSDS

基础信息

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 NamecontentEINECS#
175277-96-0N1-[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