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Nitro-Propane
[CAS 25322-01-4]

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Identification
Name Nitro-Propane
Synonyms Dihydroxy-Propylazanium; N,N-Dihydroxypropan-1-Amine; N-Hydroxypropan-1-Amine Oxide
Molecular Structure CAS#: 25322-01-4, Nitro-Propane
Molecular Formula C3H7NO2
Molecular Weight 89.09
CAS Registry Number 25322-01-4
SMILES C(C)C[N+]([O-])=O
InChI 1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey JSZOAYXJRCEYSX-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
1.0±0.1g/cm3 (Cal.)
Melting point -108°C (Expl.)
Boiling point 131.7±3.0°C at 760 mmHg (Cal.)
131.6667°C (Expl.)
Flash point 35.5556°C (Expl.)
42.3±7.2°C (Cal.)
Refractive index 1.402 (Expl.)
Safety Data
Safety Code S2;S9  Details
Risk Code R10;R20/21/22  Details
Hazard Symbol symbol  X  Details
Transport Information UN2608
Safety Description 2/9/2013 12:00:00 AM
DANGER: FLAMMABLE, harmful if swallowed or inhaled.
DANGER: FLAMMABLE, irritates skin and eyes
Safety glasses, adequate ventilation.
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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