211427
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
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
248-880-7
MDL number:
Product Name
3,5-Dinitro-o-toluic acid, 98%
InChI key
CDVNZMKTJIBBBV-UHFFFAOYSA-N
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)
SMILES string
Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
assay
98%
mp
205-207 °C (lit.)
functional group
carboxylic acid
nitro
Quality Level
Related Categories
Application
3,5-Dinitro-o-toluic acid was used in the synthesis of isoquinolone.
General description
Synthesis of a series of heterocyclic derivatives of 3,5-dinitro-o-toluic acid has been reported.
signalword
Warning
hcodes
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)
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