175205-88-6 (2',6'-二氯-4'-三氟甲基苯乙酮,1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone)

快速询单

结构式：

2',6'-二氯-4'-三氟甲基苯乙酮MOL文件

CAS号：

175205-88-6

中文名称：

2',6'-二氯-4'-三氟甲基苯乙酮

英文名称：

1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone

分子式：

C₉H₅Cl₂F₃O

分子量：

257.036611318588

2',6'-二氯-4'-三氟甲基苯乙酮(175205-88-6)名称与标识符

名称

中文别名：

2',6'-二氯-4'-(三氟甲基)苯乙酮;2’,6’-二氯-4’-三氟甲基苯乙酮;2,6-二氯-4-(三氟甲基)苯乙酮;2',6'-二氯-4'-三氟甲基苯乙酮;

英文别名：

1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone;2,6-Dichloro-4-(trifluoromethyl)acetophenone;2',6'-DICHLORO-4'-(TRIFLUOROMETHYL)ACETOPHENONE;Ethanone,1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-;1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone;1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethan-1-one;2',6'-Dichloro-4'-(trifluoromethyl)acetophenone97%;2',6'-Dichloro-4'-(trifluoromethyl)acetophenone 97%;1-(2,6-dichloro-4-(trifluoromethyl)phenyl)ethan-1-one;PC2552E;NREOBJSTBKEWNY-UHFFFAOYSA-N;4-acetyl-3,5-dichlorob;1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone;1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone;DTXSID30371659;FT-0610573;CS-W021197;1-(2 pound not6-Dichloro-4-(trifluoromethyl)phenyl)ethanone;AKOS015919601;SCHEMBL3740447;Ethanone, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-;4-acetyl-3,5-dichlorobenzotrifluoride;C9H5Cl2F3O;DS-15285;A811960;175205-88-6;MFCD00221015;DB-044159;

标识符

MDL：

MFCD00221015

InChIKey：

NREOBJSTBKEWNY-UHFFFAOYSA-N

Inchi：

1S/C9H5Cl2F3O/c1-4(15)8-6(10)2-5(3-7(8)11)9(12,13)14/h2-3H,1H3

SMILES：

ClC1C=C(C(F)(F)F)C=C(C=1C(C)=O)Cl

2',6'-二氯-4'-三氟甲基苯乙酮(175205-88-6)物化性质

实验特性

LogP : 4.21480
PSA : 17.07000
折射率 : 1.484
沸点 : 215 ºC
闪点 : 84 ºC
密度 : 1.441

计算特性

精确分子量 : 255.96700
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 255.967
重原子数量 : 15
复杂度 : 242
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） : 3.7
拓扑分子极性表面积 : 17.1

2',6'-二氯-4'-三氟甲基苯乙酮(175205-88-6)安全信息

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2',6'-二氯-4'-三氟甲基苯乙酮(175205-88-6) MSDS

基础信息

Name:	1-[2 6-Dichloro-4-(trifluoromethyl)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:
CAS:	175205-88-6

Section 1 - Chemical Product ? MSDS Name:1-[2 6-Dichloro-4-(trifluoromethyl)phenyl]ethan-1-one 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175205-88-6	1-[2,6-Dichloro-4-(trifluoromethyl)phe	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
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:
May cause irritation of the digestive tract. May be harmful if swallowed.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 175205-88-6: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 58 - 60 deg C @0.8mmHg
Freezing/Melting Point: Not available.
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: C9H5Cl2F3O
Molecular Weight: 257

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175205-88-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethan-1-one - 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: XI
Risk Phrases:
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# 175205-88-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175205-88-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175205-88-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A