All Photos(2)
Synonym(s):
3-Nitro-o-toluic acid
Linear Formula:
CH3C6H3(NO2)CO2H
CAS Number:
Molecular Weight:
181.15
Beilstein:
2050096
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
solid
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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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.
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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