175278-18-9 (4-溴-2-三氟甲氧基乙酰苯胺,4-Bromo-2-(Trifluoromethoxy)Acetanilide)

快速询单

结构式：

4-溴-2-三氟甲氧基乙酰苯胺MOL文件

CAS号：

175278-18-9

中文名称：

4-溴-2-三氟甲氧基乙酰苯胺

英文名称：

4-Bromo-2-(Trifluoromethoxy)Acetanilide

分子式：

C₉H₇BrF₃NO₂

分子量：

298.056592226028

4-溴-2-三氟甲氧基乙酰苯胺(175278-18-9)名称与标识符

名称

中文别名：

4-溴-2-三氟甲氧基乙酰苯胺;4'-溴-2'-三氟甲氧基乙酰苯胺;Alpha-三氟代甲烷-beta-丁酸内酯;4'-溴-2'-三氟甲氧基乙酰苯胺,97%;

英文别名：

N-(4-Bromo-2-(trifluoromethoxy)phenyl)acetamide;N1-[4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE;BUTTPARK 91\57-38;4'-BROMO-2'-(TRIFLUOROMETHOXY)ACETANILIDE;2-acetamido-5-bromo(trifluoromethoxy)benzene;4-Bromo-2-(trifluoromethoxy)acetanilide;N-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide;1-Acetamido-4-bromo-2-(trifluoromethoxy)benzene;AC1MC5JF;AC1Q1KLH;Maybridge1_000061;N-(4-bromo-2-trifluoromethoxy-phenyl)-acetamide;4-Bromo-2-(trifluoeomethoxy)acetanilide;4'-Bromo-2'-(Tr;4'-Bromo-2'-(trifluoromethoxy)acetanilide97%;4'-Bromo-2'-(trifluoromethoxy)acetanilide 97%;DTXSID20371345;CS-0081114;AKOS015888587;SR-01000635763-1;BS-21758;A812046;FT-0617717;175278-18-9;CC(NC(C=C1)=C(OC(F)(F)F)C=C1Br)=O;MixCom1_000105;D74287;Acetamide, N-[4-bromo-2-(trifluoromethoxy)phenyl]-;CCG-46035;SCHEMBL3503509;SHHWWZMWTUTJPY-UHFFFAOYSA-N;MFCD00203979;DB-044200;

标识符

MDL：

MFCD00203979

InChIKey：

SHHWWZMWTUTJPY-UHFFFAOYSA-N

Inchi：

1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)

SMILES：

BrC1C=CC(=C(C=1)OC(F)(F)F)NC(C)=O

4-溴-2-三氟甲氧基乙酰苯胺(175278-18-9)物化性质

实验特性

LogP : 3.37910
PSA : 38.33000
沸点 : 302.4 °C at 760 mmHg
熔点 : 135 °C
闪点 : 136.7 °C
颜色与性状 : 固体
溶解性 : 未确定
密度 : 1.664

计算特性

精确分子量 : 296.96100
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 296.961
重原子数量 : 16
复杂度 : 260
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 : 38.3A^2

4-溴-2-三氟甲氧基乙酰苯胺(175278-18-9)安全信息

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4-溴-2-三氟甲氧基乙酰苯胺(175278-18-9) MSDS

基础信息

Name:	N1-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:	2-Acetamido-5-bromo(trifluoromethoxy)benzen
CAS:	175278-18-9

Section 1 - Chemical Product ? MSDS Name:N1-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide 97% Material Safety Data Sheet
Synonym:2-Acetamido-5-bromo(trifluoromethoxy)benzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175278-18-9	N1-[4-Bromo-2-(trifluoromethoxy)phenyl	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
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 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:
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# 175278-18-9: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 135 - 137 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: C9H7BrF3NO2
Molecular Weight: 298

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175278-18-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-[4-Bromo-2-(trifluoromethoxy)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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175278-18-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175278-18-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175278-18-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A