| Identification | More | [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 Properties | Back 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 | [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]
28169-46-2(EPA Substance) |
| Safety Data | Back 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 | [HS Code ]
2916399090 |
| Hazard Information | Back 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.] |
|
|