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136883

4-Methyl-3,5-dinitrobenzoic acid

98%

Synonym(s):

3,5-Dinitro-4-methylbenzoic acid, 3,5-Dinitro-p-toluic acid

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About This Item

Linear Formula:
(O2N)2C6H2(CH3)CO2H
CAS Number:
16533-71-4
Molecular Weight:
226.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848299
EC Number:
240-603-8
Beilstein/REAXYS Number:
2507949
MDL number:
MFCD00007175
Assay:
98%
Form:
solid
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Quality Segment

100

assay

98%

form

solid

mp

155-158 °C (lit.)

solubility

methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow

functional group

carboxylic acid, nitro

SMILES string

Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O

InChI

1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

InChI key

LZWWZQXBKVZKIP-UHFFFAOYSA-N

Application

4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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