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Key Documents

113409

Sigma-Aldrich

5-Methyl-2-nitrobenzoic acid

95%

Synonym(s):

6-Nitro-m-toluic acid

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About This Item

Linear Formula:
CH3C6H3(NO2)CO2H
CAS Number:
Molecular Weight:
181.15
Beilstein:
1959031
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

form

solid

mp

134-136 °C (lit.)

SMILES string

Cc1ccc(c(c1)C(O)=O)[N+]([O-])=O

InChI

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

InChI key

QRRSIFNWHCKMSW-UHFFFAOYSA-N

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Application

5-Methyl-2-nitrobenzoic acid is used in the preparation of methyl-N-(5-methyl-2-nitrophenyl) carbamate.

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

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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New preparation of benzo-2, 1, 3-oxadiazoles (benzofurazans).
Prokipcak JM and Forte PA.
Canadian Journal of Chemistry, 48(19), 3059-3063 (1970)

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