[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride

Basic Information

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CAS Number

127162-96-3

Molecular Formula

C8H6ClF3O2S

Molecular Weight

258.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

57-62 °C

Boiling Point

293.5°Cat760mmHg

Density

1.506

Refractive Index

1.494

SMILES

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

InChI

InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey

WIGCBGFBBRJTLS-UHFFFAOYSA-N

LogP

2.774000000000001

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

307

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AS-45479
(3-trifluoromethylphenyl)methanesulfonyl chloride
3-trifluoromethylbenzylsulfonyl chloride, AldrichCPR
{[3-(trifluoromethyl)phenyl]methylsulfonyl chloride
SCHEMBL68245
AB09397
[3-(Trifluoromethyl)phenyl]-methanesulfonyl chloride
3-Trifluoromethylbenzylsulfonyl chloride
BP-10266
3-Trifluoromethylbenzylsulfonylchloride
AKOS000132741
BB 0260843
(3-(Trifluoromethyl)phenyl)methanesulfonylchloride
3-(trifluoromethyl)phenylmethanesulfonyl chloride
GEO-02380
3-trifluoromethylbenzylsulfonyl chloride, 97%
127162-96-3
EN300-60503
benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-
DTXSID70383291
F9995-1296
[3-(trifluoromethyl)phenyl]methanesulfonyl Chloride
FT-0605416
3-(Trifluoromethyl)Benzylsulfonyl Chloride
A805650
CS-0171099
[[3-(TRIFLUOROMETHYL)PHENYL]METHYL]SULFONYLCHLORIDE
AR2918
(3-(Trifluoromethyl)phenyl)methanesulfonyl chloride
[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride
4-(Trifluoromethyl)benzylsulfonyl chloride

MDL Number

MFCD01631926

Customs Code

2904909090

FAQ

What are the physical and chemical properties of [3-(Trifluoromethyl)phenyl]methanesulfonyl chloride (CAS: 127162-96-3)?

[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride is a white crystalline solid with a molecular weight of approximately 354.14 g/mol. It has a low solubility in water but is soluble in common organic solvents like dichloromethane and acetonitrile. This compound is highly reactive, particularly towards nucleophiles, and can undergo substitution reactions. It is stable under normal temperature and pressure conditions but requires handling in a fume hood to avoid inhalation and skin contact.

How is [3-(Trifluoromethyl)phenyl]methanesulfonyl chloride (CAS: 127162-96-3) typically synthesized?

[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride is synthesized through the reaction of 3-(trifluoromethyl)phenylmethanol with methanesulfonyl chloride in the presence of a base like triethylamine. The reaction is typically carried out in an anhydrous organic solvent like dichloromethane. The yield is generally high, and the product can be isolated by filtration and recrystallization. The reaction is highly selective and proceeds with good regiochemical control.

What industries use [3-(Trifluoromethyl)phenyl]methanesulfonyl chloride (CAS: 127162-96-3)?

[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride is used in a variety of industries, particularly in pharmaceuticals and as a reagent in organic synthesis. It serves as a building block for synthesizing complex molecules and is used in the development of new drugs. Additionally, it finds applications in the synthesis of polymerization initiators, sensors, and as a reagent in semiconductor fabrication processes.

What precautions should be taken when handling [3-(Trifluoromethyl)phenyl]methanesulfonyl chloride (CAS: 127162-96-3)?

When handling [3-(Trifluoromethyl)phenyl]methanesulfonyl chloride, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures. This compound is highly reactive and can cause irritation or burns if it comes into contact with skin or eyes.