3-(Trifluoromethoxy)benzoyl chloride

Basic Information

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CAS Number

86270-03-3

Molecular Formula

C8H4ClF3O2

Molecular Weight

224.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

204 ºC

Density

1.419 g/mL at 25 °C

Water Solubility

Reacts with water.

Refractive Index

1.467

SMILES

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C1=CC(=CC(=C1)OC(F)(F)F)C(=O)Cl

InChI

InChI=1S/C8H4ClF3O2/c9-7(13)5-2-1-3-6(4-5)14-8(10,11)12/h1-4H

InChIKey

MGKIOAXLPYJSMU-UHFFFAOYSA-N

LogP

2.964200000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

217

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-(trifluoromethoxy)benzoyl chloride
m-trifluoromethoxybenzoyl chloride
m-(trifluoromethoxy)benzoyl chloride
Benzoyl chloride, 3-(trifluoromethoxy)-
MGKIOAXLPYJSMU-UHFFFAOYSA-N
3-trifluoromethoxy-benzoyl chloride
Benzoylchloride, 3-(trifluoromethoxy)-
KSC450S6D
m-trifluoromethoxybenzoylchloride
3-trifluoromethoxybenzoyl chloride
3-(Trifluoromethoxy)benzoylchloride
SBB067926
CK1095
3-(trifluoromethylo
A841595
DTXSID80335084
AKOS015853108
MFCD00061268
SCHEMBL248669
DB-021756
PS-10746
3-(trifluoromethyloxy)benzoyl chloride
T2334
3-(Trifluoromethoxy)benzoyl chloride, 98%
86270-03-3
3-(Trifluoromethoxy)benzoyl chloride
DTXCID30286173

MDL Number

MFCD00061268

Customs Code

2918990090

FAQ

What is 3-(Trifluoromethoxy)benzoyl chloride (CAS: 86270-03-3)?

3-(Trifluoromethoxy)benzoyl chloride is an organic compound with the CAS number 86270-03-3. It is a white to light yellow crystalline solid with a pungent odor. The molecular formula is C9H5FO3Cl and the molecular weight is approximately 231.56 g/mol. It is highly reactive due to the presence of the trifluoromethoxy group and the acyl chloride functionality.

What are the main uses of 3-(Trifluoromethoxy)benzoyl chloride (CAS: 86270-03-3)?

3-(Trifluoromethoxy)benzoyl chloride is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the production of drugs targeting metabolic disorders and inflammation. It is also utilized in the development of organic synthesis reagents and in some industrial applications requiring specific chemical reactivity.

Is 3-(Trifluoromethoxy)benzoyl chloride (CAS: 86270-03-3) safe?

3-(Trifluoromethoxy)benzoyl chloride (CAS: 86270-03-3) is not considered safe for direct handling due to its corrosive and irritating properties. It is important to wear appropriate personal protective equipment (PPE), such as gloves and goggles, and to work in a well-ventilated area. Exposure to the skin, eyes, or inhalation should be avoided. Ingestion is extremely hazardous and immediate medical attention is necessary.

How should 3-(Trifluoromethoxy)benzoyl chloride (CAS: 86270-03-3) be stored?

3-(Trifluoromethoxy)benzoyl chloride should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and other contaminants from entering. The storage temperature should be maintained below 25°C (77°F) to preserve its stability and reactivity. Avoid contact with incompatible materials such as bases, alcohols, and amines.