Cas no 4749-28-4 (1-Propene, 2-nitro-)
1-Propene, 2-nitro- structure
Product Name:1-Propene, 2-nitro-
1-Propene, 2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propene, 2-nitro-
- 2-NITRO-1-PROPENE
- 2-nitroprop-1-ene
- 2-NITROPROPENE
- 1-Propene,2-nitro
- 2-nitro-prop-1-ene
- 2-Nitro-propen
- 2-Nitropropylene
- Propene,2-nitro
- TL 1147
- Propene, 2-nitro-
- BRN 1209319
- 4-01-00-00764 (Beilstein Handbook Reference)
- DTXSID70197158
- AKOS006279013
- 2-nitro-propene
- FT-0659618
- 4749-28-4
- GXEXLSDIVMVEFZ-UHFFFAOYSA-N
-
- Inchi： 1S/C3H5NO2/c1-3(2)4(5)6/h1H2,2H3
- InChI Key： GXEXLSDIVMVEFZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C(=C)C)=O
Computed Properties
- Exact Mass: 87.03200
- Monoisotopic Mass: 87.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 81.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.8A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.0559
- Boiling Point: 130.87°C (rough estimate)
- Flash Point: 31.9°C
- Refractive Index: 1.4358
- PSA: 45.82000
- LogP: 1.31990
1-Propene, 2-nitro- Related Literature
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1. Photochemical reactions of an αβ-unsaturated nitro compoundPaul M. Crosby,Kinglsey Salisbury,Glenn P. Wood J. Chem. Soc. Chem. Commun. 1975 312b
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2. 280. Aliphatic nitro-compounds. Part I. Preparation of nitro-olefins by dehydration of 2-nitro-alcoholsG. D. Buckley,C. W. Scaife J. Chem. Soc. 1947 1471
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3. 284. Aliphatic nitro-compounds. Part V. Preparation of 2-nitro-alkanesulphonic acids by interaction of α-nitro-olefins and sodium hydrogen sulphiteR. L. Heath,H. A. Piggott J. Chem. Soc. 1947 1481
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Vladimir A. Motornov,Andrey A. Tabolin,Yulia V. Nelyubina,Valentine G. Nenajdenko,Sema L. Ioffe Org. Biomol. Chem. 2019 17 1442
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5. 287. Aliphatic nitro-compounds. Part VIII. Addition of primary and secondary nitro-paraffins to α-nitro-olefins to give 1 : 3-dinitro-paraffinsA. Lambert,H. A. Piggott J. Chem. Soc. 1947 1489
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