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137847

Sigma-Aldrich

2-Methyl-3-nitrobenzoic acid

99%

Synonym(s):

3-Nitro-o-toluic acid

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About This Item

Linear Formula:
CH3C6H3(NO2)CO2H
CAS Number:
1975-50-4
Molecular Weight:
181.15
Beilstein:
2050096
EC Number:
217-826-4
MDL number:
MFCD00007160
UNSPSC Code:
12352100
PubChem Substance ID:
24848220
NACRES:
NA.22

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.

Storage Class Code

11 - 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

137847-VAR:
137847-100G:
137847-5G:
137847-500G:
137847-25KG:
137847-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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