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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:
3113-72-2
Molecular Weight:
181.15
Beilstein:
1959031
EC Number:
221-481-5
MDL number:
MFCD00007368
UNSPSC Code:
12352100
PubChem Substance ID:
24846879
NACRES:
NA.22

Assay

95%

form

solid

mp

134-136 °C (lit.)

functional group

carboxylic acid
nitro

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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Related Categories

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW9587
MKBF1156V
MKBB5542
MKBB3432
MKBB2320

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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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