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211427

3,5-Dinitro-o-toluic acid

Name: 3,5-Dinitro-<I>o</I>-toluic acid
Brand: ALDRICH

98%

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About This Item

Linear Formula:

(O₂N)₂C₆H₂(CH₃)CO₂H

CAS Number:

28169-46-2

Molecular Weight:

226.14

NACRES:

NA.22

PubChem Substance ID:

24852687

UNSPSC Code:

12352100

EC Number:

248-880-7

MDL number:

MFCD00007161

Assay:

98%

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Properties

Quality Level

100

assay

98%

mp

205-207 °C (lit.)

functional group

carboxylic acid, nitro

SMILES string

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

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)

InChI key

CDVNZMKTJIBBBV-UHFFFAOYSA-N

Description

General description

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

Application

3,5-Dinitro-o-toluic acid was used in the synthesis of isoquinolone.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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

Regulatory Information

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Pyridine annelation of o-methyl arylcarboxylic acids with vilsmeier reagents.

Meth-Cohn O and Taljaard HC.

Tetrahedron Letters, 24(42), 4607-4610 (1983)

Synthesis of some heterocyclic derivatives of 3, 5-dinitro o-toluic acid.

Wu MT.

Journal of Heterocyclic Chemistry, 9, 31-31 (1972)

Global Trade Item Number

SKU	GTIN
211427-100G	04061838771797