Cas no 25322-01-4 (Nitropropane)
Nitropropane structure
Product Name:Nitropropane
CAS No:25322-01-4
MF:C3H7NO2
MW:89.0931808948517
CID:88576
Update Time:2026-05-14
Nitropropane Chemical and Physical Properties
Names and Identifiers
-
- Nitropropane
- (E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
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- Inchi： InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
- InChI Key： JSZOAYXJRCEYSX-UHFFFAOYSA-N
- SMILES： [N+](CCC)([O-])=O
Computed Properties
- Exact Mass: 89.04771
- Monoisotopic Mass: 89.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 47.2
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 45.8A^2
Experimental Properties
- Ionization Potential: 10.81 eV
- Color/Form: Colorless liquid with a mild, fruity odor
- Density: 3.06 (Air = 1)
- Melting Point: -108℃
- Boiling Point: -162° F (NTP, 1992)
- Flash Point: 93° F (NTP, 1992)
- Refractive Index: 1.4005-1.4025
- PSA: 43.14
- LogP: 1.19630
Nitropropane Related Literature
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Nicolai A. Aksenov,Alexander V. Aksenov,Nikita K. Kirilov,Nikolai A. Arutiunov,Dmitrii A. Aksenov,Vladimir Maslivetc,Zhenze Zhao,Liqin Du,Michael Rubin,Alexander Kornienko Org. Biomol. Chem. 2020 18 6651
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M. Karpińska,M. Wlaz?o,D. Ramjugernath,P. Naidoo,U. Domańska RSC Adv. 2017 7 7092
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3. Complexes of the platinum metals. Part 31. Reactions of binuclear ruthenium(II,III) and rhodium(II) carboxylates with chelating diphosphines;X-ray crystal structure of (acetato-O,O′)bis[bis(diphenylphosphino)methane-P,P′]ruthenium(II) tetraphenylborateEsther B. Boyar,P. Alexander Harding,Stephen D. Robinson,Carolyn P. Brock J. Chem. Soc. Dalton Trans. 1986 1771
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Alexander V. Aksenov,Nicolai A. Aksenov,Nikolai A. Arutiunov,Vladimir V. Malyuga,Sergey N. Ovcharov,Michael Rubin RSC Adv. 2019 9 39458
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5. Index of subjects, 1947
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