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ChemicalBook--->CAS DataBase List--->77-49-6

77-49-6

77-49-6 Structure

77-49-6 Structure
IdentificationMore
[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 PropertiesBack 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)
[pka]

12.86±0.10(Predicted)
[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)
Safety DataBack Directory
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
[RTECS ]

TY8925000
[TSCA ]

Yes
[HS Code ]

29053995
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6)MS
2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6)13CNMR
2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6)IR1
2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6)IR2
2-METHYL-2-NITRO-1,3-PROPANEDIOL(77-49-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Nitro-2-methyl-1,3-propanediol, 99%(77-49-6)
[Alfa Aesar]

2-Methyl-2-nitro-1,3-propanediol, 97%(77-49-6)
[Sigma Aldrich]

77-49-6(sigmaaldrich)
[TCI AMERICA]

2-Methyl-2-nitro-1,3-propanediol,>98.0%(N)(77-49-6)
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