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Key Documents

211427

Sigma-Aldrich

3,5-Dinitro-o-toluic acid

98%

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About This Item

Linear Formula:
(O2N)2C6H2(CH3)CO2H
CAS Number:
Molecular Weight:
226.14
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

mp

205-207 °C (lit.)

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

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

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

Certificates of Analysis (COA)

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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)

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