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136883

Sigma-Aldrich

4-Methyl-3,5-dinitrobenzoic acid

98%

Synonym(s):
3,5-Dinitro-p-toluic acid, 3,5-Dinitro-4-methylbenzoic acid
Linear Formula:
(O2N)2C6H2(CH3)CO2H
CAS Number:
Molecular Weight:
226.14
Beilstein:
2507949
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

assay

98%

form

solid

mp

155-158 °C (lit.)

solubility

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

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

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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.

Packaging

25 g in poly bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

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

Certificate of Analysis

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Certificate of Origin

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