ChemicalBook--->CAS DataBase List--->628-05-7

628-05-7

628-05-7 Structure

628-05-7 Structure
IdentificationBack Directory
[Name]

1-NITROPENTANE
[CAS]

628-05-7
[Synonyms]

Nitropentane
1-NITROPENTANE
1-Nitropentane 97%
[EINECS(EC#)]

211-025-3
[Molecular Formula]

C5H11NO2
[MDL Number]

MFCD00007410
[MOL File]

628-05-7.mol
[Molecular Weight]

117.15
Chemical PropertiesBack Directory
[Melting point ]

24.33°C (estimate)
[Boiling point ]

75-76 °C23 mm Hg(lit.)
[density ]

0.952 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.417(lit.)
[Fp ]

59 °C
[form ]

liquid
[pka]

8.61±0.29(Predicted)
[BRN ]

506508
[InChI]

1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3
[InChIKey]

BVALZCVRLDMXOQ-UHFFFAOYSA-N
[SMILES]

CCCCC[N+]([O-])=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[RIDADR ]

1993
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

1-Nitropentane, has been used as organic nitrogen (ON) standard in quantitative method for the speciation of ON within ambient atmospheric aerosol.
[General Description]

Ferroxime(II)-catalyzed oxidative denitrification of 1-nitropentane has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

1-NITROPENTANE(628-05-7)MS
1-NITROPENTANE(628-05-7)1HNMR
1-NITROPENTANE(628-05-7)13CNMR
1-NITROPENTANE(628-05-7)IR1
1-NITROPENTANE(628-05-7)Raman
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