2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

Basic Information

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CAS Number

837-95-6

Molecular Formula

C7H3ClF3NO4S

Molecular Weight

289.62 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

Melting Point

42-44 °C

Boiling Point

519.2°C at 760 mmHg

Density

1.353

Refractive Index

1.466

SMILES

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C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)Cl

InChI

InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H

InChIKey

KXEMVGQZZLRLBE-UHFFFAOYSA-N

LogP

4.14510

Complexity

399

Safety Information

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Hazard Statement

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

2-nitro-4-(trifluoromethyl)benzenesulphonyl chloride
FT-0613160
2-Nitro-4-(trifluoromethyl)phenylsulfonyl chloride
2-nitro-4-trifluromethylbenzenesulfonylchloride
SCHEMBL2004631
PS-10814
CS-0157126
2-nitro-4-trifluoromethyl-benzene sulfonyl chloride
AKOS000145354
837-95-6
2-nitro-4-trifluoromethylbenzenesulfonyl chloride
2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
DTXSID90379691
CK2491
EN300-216842
2-nitro-4-(trifluoromethyl) benzenesulfonyl chloride
2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
A821385
2-Nitro-4-(trifluoromethyl)benzene-1-sulfonylchloride
2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 98%
AMY2981
MFCD00013456
2-Nitro-4-(trifluoromethyl)benzenesulphonyl chloride
2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

MDL Number

MFCD00013456

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS: 837-95-6)?

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride is a white crystalline solid with a molecular weight of approximately 356.02 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is highly reactive due to the presence of the nitro and trifluoromethyl groups, which enhance its reactivity in substitution reactions.

How is 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS: 837-95-6) typically synthesized?

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride can be synthesized by first sulfonating 4-(trifluoromethyl)benzenesulfonic acid with thionyl chloride, followed by nitration using a mixture of nitric acid and sulfuric acid. This process requires careful control of reaction conditions to achieve high yield and selectivity.

What industries use 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS: 837-95-6)?

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride is used in the pharmaceutical industry for the synthesis of certain intermediates and APIs. It is also utilized in the polymer industry for the preparation of advanced materials. Additionally, it has applications in sensor technologies and semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS: 837-95-6)?

When handling 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, it is crucial to use appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and disposal.