4-(Methylsulfonyl)-2-nitrobenzoic acid

Modify Date: 2025-08-25 17:13:46

4-(Methylsulfonyl)-2-nitrobenzoic acid Structure
4-(Methylsulfonyl)-2-nitrobenzoic acid structure
Common Name 4-(Methylsulfonyl)-2-nitrobenzoic acid
CAS Number 110964-79-9 Molecular Weight 245.209
Density 1.6±0.1 g/cm3 Boiling Point 497.8±45.0 °C at 760 mmHg
Molecular Formula C8H7NO6S Melting Point 211-212ºC
MSDS N/A Flash Point 254.9±28.7 °C

 Names

Name 2-Nitro-4-methylsulfonylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 497.8±45.0 °C at 760 mmHg
Melting Point 211-212ºC
Molecular Formula C8H7NO6S
Molecular Weight 245.209
Flash Point 254.9±28.7 °C
Exact Mass 244.999405
PSA 125.64000
LogP 0.60
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.590
InChIKey QNOUABMNRMROSL-UHFFFAOYSA-N
SMILES CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1

 Safety Information

Hazard Codes Xi: Irritant;

 Synthetic Route

~85%

4-(Methylsulfonyl)-2-nitrobenzoic acid Structure

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CAS#:110964-79-9

Literature: WO2004/58698 A1, ; Page/Page column 9 ;

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4-(Methylsulfonyl)-2-nitrobenzoic acid Structure

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CAS#:110964-79-9

Literature: US5424481 A1, ;

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4-(Methylsulfonyl)-2-nitrobenzoic acid Structure

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CAS#:110964-79-9

Literature: US5424481 A1, ;

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4-(Methylsulfonyl)-2-nitrobenzoic acid Structure

4-(Methylsulfon...

CAS#:110964-79-9

Literature: Journal of Organic Chemistry, , vol. 18, p. 1380,1400

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4-(Methylsulfonyl)-2-nitrobenzoic acid Structure

4-(Methylsulfon...

CAS#:110964-79-9

Literature: Journal of Organic Chemistry, , vol. 56, # 16 p. 4974 - 4976

 Synonyms

4-Methylsulphonyl-2-nitrobenzoic acid
WS1&R DVQ CNW
MFCD01941299
4-Methylsulfonyl-2-nitrobenzoic acid
4-(Methylsulfonyl)-2-nitrobenzoic acid
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