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627-05-4

627-05-4 Structure

627-05-4 Structure
IdentificationBack Directory
[Name]

1-NITROBUTANE
[CAS]

627-05-4
[Synonyms]

n-C4H9NO2
Nitro-butane
1-Nitrobutan
1-nitro-butan
Butane,1-nitro-
[EINECS(EC#)]

210-980-3
[Molecular Formula]

C4H9NO2
[MDL Number]

MFCD00007409
[MOL File]

627-05-4.mol
[Molecular Weight]

103.12
Chemical PropertiesBack Directory
[Melting point ]

-81 °C (lit.)
[Boiling point ]

152-153 °C (lit.)
[density ]

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

n20/D 1.410(lit.)
[Fp ]

44 °C
[form ]

liquid
[pka]

8.69±0.29(Predicted)
[Water Solubility ]

3.609g/L(25 ºC)
[BRN ]

1743017
[InChI]

1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
[InChIKey]

NALZTFARIYUCBY-UHFFFAOYSA-N
[SMILES]

CCCC[N+]([O-])=O
[EPA Substance Registry System]

1-Nitrobutane (627-05-4)
Safety DataBack Directory
[Risk Statements ]

10
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

EK5075000
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29042090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

1-Nitrobutane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.
[Definition]

ChEBI: 1-nitrobutane is a C-nitro compound.
[General Description]

Colorless liquid.
[Air & Water Reactions]

Highly flammable. Slightly water soluble .
[Reactivity Profile]

Nitroalkanes, such as 1-NITROBUTANE(627-05-4), range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.
Spectrum DetailBack Directory
[Spectrum Detail]

1-NITROBUTANE(627-05-4)MS
1-NITROBUTANE(627-05-4)1HNMR
1-NITROBUTANE(627-05-4)13CNMR
1-NITROBUTANE(627-05-4)IR1
1-NITROBUTANE(627-05-4)Raman
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