| Identification | More | [Name]
2-METHYL-2-NITRO-1,3-PROPANEDIOL | [CAS]
77-49-6 | [Synonyms]
2-METHYL-2-NITRO-1,3-PROPANEDIOL
2-NITRO-2-METHYL-1,3-PROPANEDIOL
1,1-Dimethylol-1-nitroethane
1,3-Propanediol, 2-methyl-2-nitro-
2-methyl-2-nitro-3-propanediol
2-Methyl-2-nitropropane-1,3-diol
2-Methyl-2-nitropropanediol
3-Propanediol,2-methyl-2-nitro-1
Nitroisobutylglycol
NMPD
2-methyl-2-nitropropan-1,3-diol | [EINECS(EC#)]
201-031-4 | [Molecular Formula]
C4H9NO4 | [MDL Number]
MFCD00024812 | [Molecular Weight]
135.12 | [MOL File]
77-49-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to yellowish crystals | [Melting point ]
147-149 °C | [Boiling point ]
248.79°C (rough estimate) | [density ]
1.4474 (rough estimate) | [refractive index ]
1.4183 (estimate) | [Water Solubility ]
Soluble in water | [form ]
powder to crystal | [pka]
12.86±0.10(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3 | [InChIKey]
LOTYADDQWWVBDJ-UHFFFAOYSA-N | [SMILES]
C(O)C(C)([N+]([O-])=O)CO | [Uses]
Intermediate. | [CAS DataBase Reference]
77-49-6(CAS DataBase Reference) | [EPA Substance Registry System]
2-Methyl-2-nitro-1,3-propanediol (77-49-6) |
| Hazard Information | Back Directory | [Hazard]
Toxic by ingestion | [Chemical Properties]
white to yellowish crystals | [Purification Methods]
Crystallise it from n-butanol or Me2CO (m 150.6o). It decomposes on attempted distillation at 10mm. Its solubility in H2O is 80g/100mL at 20o. [Beilstein 1 H 489, 1 II 547, 1 III 2190, 1 IV 2537.] |
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