3,5-Dinitro-2-methylbenzoic acid Chemical Properties

Melting point:

205-207 °C(lit.)

Boiling point:

367.74°C (rough estimate)

Density 

1.6136 (rough estimate)

refractive index 

1.6000 (estimate)

storage temp. 

Storage temp. 2-8°C

pka

pK1:2.97 (25°C)

Appearance

White to off-white Solid

Water Solubility 

Soluble in water.

BRN 

2622906

InChI

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

InChIKey

CDVNZMKTJIBBBV-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1C

CAS DataBase Reference

28169-46-2(CAS DataBase Reference)

EPA Substance Registry System

Benzoic acid, 2-methyl-3,5-dinitro- (28169-46-2)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-22

Safety Statements 

26-37/39

WGK Germany 

3

TSCA 

Yes

HS Code 

2916399090

MSDS

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3,5-Dinitro-2-methylbenzoic acid Usage And Synthesis

Chemical Properties

light yellow fine crystalline powder

Uses

2-Methyl-3,5-dinitrobenzoic acid was used to synthesis heterocyclic derivatives and in the synthesis of isoquinolone.

General Description

Synthesis of a series of heterocyclic derivatives of 3,5-dinitro-o-toluic acid has been reported.

Purification Methods

Crystallise the acid from H2O or aqueous EtOH. The ammonium salt forms yellow crystals from EtOH with m 218-219o, and the urea salt has m 189-190o (prisms from EtOH). [Beilstein 9 H 474, 9 II 323, 9 III 2316.]

3,5-Dinitro-2-methylbenzoic acid(28169-46-2)Related Product Information

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