5-(Chlorosulfonyl)-2-methylbenzoic acid

Basic Information

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CAS Number

89001-57-0

Molecular Formula

C8H7ClO4S

Molecular Weight

234.66 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

Melting Point

152-154°

Boiling Point

398.7°C at 760 mmHg

SMILES

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CC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C8H7ClO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

FMWIOAWRARBKDQ-UHFFFAOYSA-N

LogP

1.62072

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

319

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-(Chlorosulfonyl)-2-methylbenzoic acid
5-(Chlorosulfonyl)-2-methylbenzenecarboxylic acid
5-(CHLOROSULPHONYL)-2-METHYLBENZOIC ACID
5-chlorosulfonyl-2-methylbenzoic acid
Benzoic acid, 5-(chlorosulfonyl)-2-methyl- (9CI)
Benzoic acid,5-(chlorosulfonyl)-2-methyl-
2-methyl-5-chlorosulfonyl benzoic acid
2-Methyl-5-chlorsulfonyl-benzoesaeure
5-(Chlorosulfonyl)-2-Methyl-Benzoic Acid
5-Chlorsulfonyl-2-methyl-benzoesaeure
Benzoic acid,5-(chlorosulfonyl)-2-methyl
Benzoic acid, 5-(chlorosulfonyl)-2-methyl-
NSC210248
5-Chlorosulfonyl-2-methyl-benzoic acid
FMWIOAWRARBKDQ-UHFFFAOYSA-N
STL220346
SBB078631
5-(Chlo
5-(Chlorosulfonyl)-2-methylbenzoic acid (ACI)
2-Methyl-5-(chlorosulfonyl)benzoic acid
3-Carboxy-4-methylbenzenesulfonyl chloride
5-Chlorosulfonyl-2-methylbenzoic acid
NSC 210248
J-516330
SCHEMBL35163
5-chlorosulfonyl-2-methyl-benzoic acid, AldrichCPR
DB-037968
SB40559
AKOS000122255
EN300-01837
DTXSID30308844

MDL Number

MFCD03989642

Customs Code

2916399090

FAQ

What is 5-(Chlorosulfonyl)-2-methylbenzoic acid (CAS: 89001-57-0)?

5-(Chlorosulfonyl)-2-methylbenzoic acid is a chemical compound with the CAS number 89001-57-0. It has the chemical formula C9H7ClO4 and is a white to off-white crystalline powder. This compound is used in various applications including pharmaceuticals and industrial processes.

What are the main uses of 5-(Chlorosulfonyl)-2-methylbenzoic acid (CAS: 89001-57-0)?

5-(Chlorosulfonyl)-2-methylbenzoic acid is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the production of dyes, as a reagent in organic synthesis, and in some industrial applications such as water treatment processes.

Is 5-(Chlorosulfonyl)-2-methylbenzoic acid (CAS: 89001-57-0) safe?

5-(Chlorosulfonyl)-2-methylbenzoic acid is generally safe when handled with appropriate precautions. However, it is important to use personal protective equipment such as gloves, goggles, and a lab coat. It should be stored away from heat and direct sunlight to minimize the risk of decomposition.

How should 5-(Chlorosulfonyl)-2-methylbenzoic acid (CAS: 89001-57-0) be stored?

5-(Chlorosulfonyl)-2-methylbenzoic acid 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 absorption. The storage temperature should not exceed 25°C, and it should be protected from humidity to maintain its stability.