All Photos(2)

137847

Sigma-Aldrich

2-Methyl-3-nitrobenzoic acid

99%

Synonym(s):
3-Nitro-o-toluic acid
Linear Formula:
CH3C6H3(NO2)CO2H
CAS Number:
Molecular Weight:
181.15
Beilstein:
2050096
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

mp

182-184 °C (lit.)

SMILES string

Cc1c(cccc1[N+]([O-])=O)C(O)=O

InChI

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

InChI key

YPQAFWHSMWWPLX-UHFFFAOYSA-N

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Related Categories

Application

2-Methyl-3-nitrobenzoic acid was used as starting reagent in the synthesis of methyl 2-methyl-3-nitrobenzoate and 2,3-unsubstituted indoles.

Packaging

100 g in poly bottle

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Synthesis of (2S)-2-amino-3-(1H-4-indolyl) propanoic acid, a novel tryptophan analog for structural modification of bioactive peptides.
Fauq AH, et al.
Tetrahedron Asymmetry, 9(23), 4127-4134 (1998)
Palladium-catalyzed coupling of 2-bromoanilines with vinylstannanes. A regiocontrolled synthesis of substituted indoles.
Krolski ME, et al.
The Journal of Organic Chemistry, 53(6), 1170-1176 (1988)

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