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ChemicalBook--->CAS DataBase List--->28169-46-2

28169-46-2

28169-46-2 Structure

28169-46-2 Structure
IdentificationMore
[Name]

3,5-Dinitro-2-methylbenzoic acid
[CAS]

28169-46-2
[Synonyms]

2-METHYL-3,5-DINITROBENZOIC ACID
3,5-DINITRO-2-METHYLBENZOIC ACID
3,5-DINITRO-2-TOLUIC ACID
3,5-DINITRO-O-TOLUIC ACID
AKOS BB-9478
2-methyl-3,5-dinitro-benzoicaci
3,5-Dinitro-o-Toluic Acid 2-Methyl-3,5-Dinitrobenzoic acid
3,5-DINITRO-O-TOLUIC ACID 99%
[EINECS(EC#)]

248-880-7
[Molecular Formula]

C8H6N2O6
[MDL Number]

MFCD00007161
[Molecular Weight]

226.14
[MOL File]

28169-46-2.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow fine crystalline powder
[Melting point ]

205-207 °C(lit.)
[Boiling point ]

367.74°C (rough estimate)
[density ]

1.6136 (rough estimate)
[refractive index ]

1.6000 (estimate)
[pka]

pK1:2.97 (25°C)
[Water Solubility ]

Soluble in water.
[BRN ]

2622906
[CAS DataBase Reference]

28169-46-2(CAS DataBase Reference)
[EPA Substance Registry System]

28169-46-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-METHYL-3,5-DINITRO-BENZOIC ACID METHYL ESTER-->2-Methyl-5-nitrobenzoic acid-->2-Methyl-3-nitrobenzoic acid-->O-TOLUAMIDE-->2-METHYL-5-NITROBENZONITRILE-->Methyl 5-nitro-2-methylbenzoate-->o-Toluic acid-->Methyl 2-methyl-3-nitrobenzoate-->Nitric acid-->Methyl o-toluate
[Preparation Products]

Dinitolmide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dinitro-2-methylbenzoic acid(28169-46-2).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dinitro-2-methylbenzoic acid(28169-46-2)MS
3,5-Dinitro-2-methylbenzoic acid(28169-46-2)1HNMR
3,5-Dinitro-2-methylbenzoic acid(28169-46-2)IR1
3,5-Dinitro-2-methylbenzoic acid(28169-46-2)IR2
3,5-Dinitro-2-methylbenzoic acid(28169-46-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dinitro-2-toluic acid(28169-46-2)
[Alfa Aesar]

2-Methyl-3,5-dinitrobenzoic acid, 98%(28169-46-2)
[Sigma Aldrich]

28169-46-2(sigmaaldrich)
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