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2-Methyl-4-Nitrobenzoic Acid

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2-Methyl-4-Nitrobenzoic Acid / CAS : 1975-51-5

Appearance White to yellowish powder UN -
HS 29163990 DG Class -
Synonyms Tolvaptan Impurity 31; 4-Carboxy-3-Methylnitrobenzene; 2-Carboxy-5-Nitrotoluene; 2-Methyl-4-Nitro-Benzoic Acid; 4-Nitro-O-Toluic Acid; Benzoic Acid, 2-Methyl-4-Nitro-
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Properties

Summary

Formula
C8H7NO4
Molecular Mass
181.15
Exact Mass
181.03800
PSA
83.12000
Logp
2.12460
IUPAC
2-methyl-4-nitrobenzoic acid
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
150-154 °C(lit.)
Density
1.392 g/cm3
Boiling Point
369.3 °C
Flash Point
167.6 ℃
Appearance
White to yellowish powder
Acidity and Basicity
acidness

Export information

HS Code
29163990
Export Rebate
13%
Risk Code
R22-43
Safety Label
Xn

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