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259489

Sigma-Aldrich

1-Nitrobutane

98%

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About This Item

Linear Formula:
CH3(CH2)3NO2
CAS Number:
627-05-4
Molecular Weight:
103.12
Beilstein:
1743017
EC Number:
210-980-3
MDL number:
MFCD00007409
UNSPSC Code:
12352100
PubChem Substance ID:
24855708
NACRES:
NA.22

Quality Level

200

Assay

98%

form

liquid

refractive index

n20/D 1.410 (lit.)

bp

152-153 °C (lit.)

mp

−81 °C (lit.)

density

0.973 g/mL at 25 °C (lit.)

functional group

amine
nitro

SMILES string

CCCC[N+]([O-])=O

InChI

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

InChI key

NALZTFARIYUCBY-UHFFFAOYSA-N

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General description

Low-energy velocity map photoelectron imaging of 1-nitrobutane anions by photoelectron spectroscopy has been reported. Hydrothermal reaction of 1-nitrobutane in high-temperature water has been reported.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

111.2 °F - closed cup

Flash Point(C)

44 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS8089
MKCL9521
MKCJ3688
MKCG2439
BCBM0968V

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Hydrothermal reactions of 1-nitrobutane in high-temperature water.
Iyer SD, et al.
Journal of Supercritical Fluids, 9(1), 26-32 (1996)
Ge Sun et al.
The Journal of chemical physics, 152(24), 244303-244303 (2020-07-03)
Photodissociation dynamics of the jet-cooled n-butyl radical via the 3s Rydberg state and the s-butyl radical via the 3p Rydberg states in the ultraviolet region of 233 nm-258 nm, as well as the t-butyl radical via the 3d Rydberg states
Christopher L Adams et al.
The Journal of chemical physics, 136(6), 064307-064307 (2012-03-01)
We present low-energy velocity map photoelectron imaging results for bare and Ar-solvated 1-nitropropane and 1-nitrobutane anions. We report the adiabatic electron affinity of 1-nitropropane as (223 ± 6) meV and that of 1-nitrobutane as (240 ± 6 meV). The vertical

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