3-(Trifluoromethyl)benzenesulfonyl chloride

Basic Information

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CAS Number

777-44-6

Molecular Formula

C7H4ClF3O2S

Molecular Weight

244.62 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

Boiling Point

88-90 °C/6 mmHg

Density

1.526 g/mL at 25 °C

Refractive Index

n20/D 1.485(lit.)

SMILES

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

InChI

InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChIKey

ONCAZCNPWWQQMW-UHFFFAOYSA-N

LogP

2.632900000000001

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

293

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

T1910
3-(Trifluoromethyl)benzenesulfonyl chloride
m-Trifluoromethylphenylsulfonyl chloride
3-trifluormethylbenzenesulfonylchloride
3-Trifluoromethylbenzenesulphonyl chloride
3-(trifluoromethyl)benzene-sulfonyl chloride
SCHEMBL67827
3-(trifluoromethyl)benzene-1-sulfonylchloride
3-(trifluormethyl)-benzenesulfonyl chloride
EN300-17009
3-trifluoromethylbenzenesulfochloride
3-(trifluoromethyl) benzene-1-sulfonyl chloride
3-(trifluoromethyl)-benzene-1-sulfonyl chloride
3-(Trifluoromethyl)benzenesulfonic acid chloride
3-(trifluoromethyl)benzenesulphonyl chloride
alpha,alpha,alpha-Trifluorotoluene-3-sulfonyl Chloride
3-trifluoromethylbenzenesulfonylchloride
3trifluoromethylbenzenesulfonyl chloride
A9822
FT-0613926
BENZENESULFONYL CHLORIDE, 3-(TRIFLUOROMETHYL)-
3-trifluoromethylbenzenesulfonylchoride
3-(trifluoromethyl)-benzenesulfonyl chloride
3-(Trifluoromethyl)Benzene-1-Sulfonyl Chloride
F2167-0007
MFCD00014724
AKOS000265221
3-trifluoromethylbenzenesulfonic acid chloride
3-(trifluoromethyl)phenylsulfonyl chloride
3-trifluoromethylbenzene-sulfonyl chloride
CS-0071055

MDL Number

MFCD00014724

Customs Code

2904909090

FAQ

What is 3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6)?

3-(Trifluoromethyl)benzenesulfonyl chloride, also known as 4-(Trifluoromethyl)benzenesulfonyl chloride, is a chemical compound with the CAS number 777-44-6. It is a white crystalline solid with a pungent odor. This compound is highly reactive and used in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. It is a sulfonating agent and can be used as a reagent in various organic reactions.

What are the main uses of 3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6)?

3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6) is primarily used in the pharmaceutical and agrochemical industries for the synthesis of active pharmaceutical ingredients (APIs) and herbicides. It serves as a sulfonating agent and is also used in the preparation of other organic compounds, including dyes and intermediates.

Is 3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6) safe?

3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6) is not inherently dangerous but handling requires caution. It is corrosive and can cause skin irritation. Proper protective measures, such as gloves and safety glasses, should be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. Inhalation of fumes should be avoided, and appropriate ventilation is necessary.

How should 3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6) be stored?

3-(Trifluoromethyl)benzenesulfonyl chloride (CAS: 777-44-6) 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 evaporation and contamination. The storage area should have good ventilation to avoid the accumulation of fumes. Container should be checked regularly for any signs of damage or leakage. It is recommended to store this compound in a dedicated chemical cabinet with appropriate safety measures in place.