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CAS Number: 27329-27-7
4-methyl-2-nitrobenzoic acid

Structure

4-methyl-2-nitrobenzoic acid
Name: 4-methyl-2-nitrobenzoic acid
Synonyms:
General Information
Product Number: 27329277

CAS Registry Number 27329-27-7
Name:
Benzoic acid, 4-​methyl-​2-​nitro-
p-Toluic acid, 2-nitro- (6CI,7CI)
2-Nitro-4-methylbenzoic acid
2-Nitro-p-toluic acid
4-Methyl-2-nitrobenzoic acid
NSC 80180

 

Chemical Formula: C8H7NO4
Exact Mass: 181.04
Molecular Weight: 181.15
m/z: 181.04 (100.0%), 182.04 (8.9%), 183.04 (1.2%)

 

InChI:InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

InChI Key:KZLLSSGOPIGKDO-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 161-163 °C   (2)CAS
Melting Point 152-153 °C (decomp)   (3)CAS

Specification

98%

References

(2) Burkett, Howard; Journal of Organic Chemistry 1960, V25, P276-8 CAPLUS
(3) Soderman, M. A.; Journal of the American Chemical Society 1925, V47, P1390-5 CAPLUS

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