| Identification | More | [Name]
3,5-Dinitro-4-methylbenzoic acid | [CAS]
16533-71-4 | [Synonyms]
3,5-DINITRO-4-METHYLBENZOIC ACID
3,5-DINITRO-4-TOLUIC ACID
3,5-DINITRO-P-TOLUIC ACID
4-METHYL-3,5-DINITROBENZOIC ACID
3,5-Dinitro-p-toluic acid (COOH=1)
3,5-Dinitro-4-methylbenzoic acid, 3,5-Dinitro-p-toluic acid
3,5-Dinitro-4-methylbenzenecarboxylic acid | [EINECS(EC#)]
240-603-8 | [Molecular Formula]
C8H6N2O6 | [MDL Number]
MFCD00007175 | [Molecular Weight]
226.14 | [MOL File]
16533-71-4.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder | [Melting point ]
155-158 °C(lit.)
| [Boiling point ]
396.3±42.0 °C(Predicted) | [density ]
1.593±0.06 g/cm3(Predicted) | [storage temp. ]
Flammables area | [solubility ]
methanol: soluble250mg/10 mL, clear, faintly yellow to yellow | [form ]
Crystalline Powder | [pka]
2.95±0.10(Predicted) | [color ]
Yellow | [BRN ]
2507949 | [InChI]
InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12) | [InChIKey]
LZWWZQXBKVZKIP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1 | [CAS DataBase Reference]
16533-71-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystalline powder | [Uses]
4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482. |
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J & K SCIENTIFIC LTD.
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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Maya High Purity Chemicals
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