2-Bromo-5-(chlorosulfonyl)benzoic acid

Basic Information

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CAS Number

3285-31-2

Molecular Formula

C7H4BrClO4S

Molecular Weight

299.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)Br

InChI

InChI=1S/C7H4BrClO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChIKey

ZZSQGLFOZUQDAM-UHFFFAOYSA-N

LogP

2.0747999999999998

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

323

Synonyms & References

English

2-Bromo-5-(chlorosulfonyl)benzoic acid
2-bromo-5-chlorosulfonylbenzoic acid
2-bromo-5-chlorosulfonyl-benzoic Acid
AC1MOZQB
AC1Q72UQ
ANW-73366
CTK7I6740
BS-13938
2-Bromo-5-(chlorosulfonyl) benzoic acid
Benzoic acid, 2-bromo-5-(chlorosulfonyl)-
GS3081
ZZSQGLFOZUQDAM-UHFFFAOYSA-N
J-018906
CS-0307717
Z57008865
3285-31-2
2-Bromo-5-(chlorosulfonyl)benzoicacid
AKOS000122253
SCHEMBL1356938
EN300-05638
DA-17375
DTXSID80392379
MFCD01208090
2-bromo-5-chlorosulfonyl benzoic acid

MDL Number

MFCD01208090

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-Bromo-5-(chlorosulfonyl)benzoic acid (CAS: 3285-31-2)?

2-Bromo-5-(chlorosulfonyl)benzoic acid is a crystalline solid with a molecular weight of approximately 310.03 g/mol. Its solubility in water is limited, typically around 0.1 g/L at 25°C. The compound is highly reactive due to the presence of the sulfonyl chloride group, which makes it a potent electrophile in nucleophilic substitution reactions. It is insoluble in most organic solvents except for strong polar aprotic solvents like dimethylformamide.

How is 2-Bromo-5-(chlorosulfonyl)benzoic acid (CAS: 3285-31-2) typically synthesized?

2-Bromo-5-(chlorosulfonyl)benzoic acid is typically synthesized through the bromination of 5-chlorosulfonylbenzoic acid with bromine in an aqueous solution. The reaction is performed under acidic conditions using concentrated sulfuric acid. The yield is generally high, and the selectivity of the bromination is excellent, due to the inherent reactivity of the sulfonyl chloride group.

What industries use 2-Bromo-5-(chlorosulfonyl)benzoic acid (CAS: 3285-31-2)?

2-Bromo-5-(chlorosulfonyl)benzoic acid is utilized in various industries, particularly in pharmaceuticals for the synthesis of certain medicinal compounds, in the polymer industry for the production of functional polymers, and in the electronics industry for the development of sensors and semiconductor materials.

What precautions should be taken when handling 2-Bromo-5-(chlorosulfonyl)benzoic acid (CAS: 3285-31-2)?

When handling 2-Bromo-5-(chlorosulfonyl)benzoic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to its fumes. Spills should be handled immediately using a suitable absorbent material, and the area should be cleaned with water and detergent. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines.