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Key Documents

B59497

Sigma-Aldrich

1-Bromobutane

ReagentPlus®, 99%

Synonym(s):

Butyl bromide

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About This Item

Linear Formula:
CH3(CH2)3Br
CAS Number:
Molecular Weight:
137.02
Beilstein:
1098260
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21

vapor density

4.7 (vs air)

Quality Level

vapor pressure

150 mmHg ( 50 °C)
40 mmHg ( 25 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

autoignition temp.

509 °F

expl. lim.

2.8-6.6 %, 100 °F

refractive index

n20/D 1.439 (lit.)

bp

100-104 °C (lit.)

mp

−112 °C (lit.)

density

1.276 g/mL at 25 °C (lit.)

SMILES string

CCCCBr

InChI

1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3

InChI key

MPPPKRYCTPRNTB-UHFFFAOYSA-N

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General description

1-Bromobutane, an alkyl halide, is an alkylating agent. Its rotational constants, nuclear quadrupole constants and centrifugal distortion constants have been stated based on microwave spectral data. The rate coefficient for the reaction of 1-bromobutane with hydrogen atoms has been reported to be 2.4±1.2x1010cm3mol-1s-1.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Carc. 2 - Flam. Liq. 2 - Repr. 1B - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Liver, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

50.0 °F - closed cup

Flash Point(C)

10 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Rate coefficients for the reactions of hydrogen atoms with 1-bromopropane, 2-bromopropane, 1-bromobutane, and 2-bromobutane.
Meinike T, et al.
International Journal of Chemical Kinetics, 30(10), 721-727 (1998)
Congbo Cai et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 211(2), 162-169 (2011-06-15)
Recently, a method based on intermolecular multiple quantum coherences (iMQCs) has been proposed to obtain high-resolution 2D COSY spectra in inhomogeneous fields via 3D acquisitions. However, the very long acquisition time prevents its practical application. To overcome this shortage, the
Thomas J Wood et al.
Chemical communications (Cambridge, England), 48(82), 10201-10203 (2012-09-11)
Highly ion-conducting poly(ionic liquid) thin films have been prepared in the absence of solvents utilizing a simple 2-step approach comprising pulsed plasmachemical deposition of 1-allylimidazole followed by vapour-phase quaternization with 1-bromobutane.
Martin Hesseler et al.
Applied microbiology and biotechnology, 91(4), 1049-1060 (2011-05-24)
A haloalkane dehalogenase (DppA) from Plesiocystis pacifica SIR-1 was identified by sequence comparison in the NCBI database, cloned, functionally expressed in Escherichia coli, purified, and biochemically characterized. The three-dimensional (3D) structure was determined by X-ray crystallography and has been refined
Christina Lederle et al.
The Journal of chemical physics, 134(6), 064512-064512 (2011-02-17)
Mixtures of the monohydroxy alcohol n-butanol with n-bromobutane are investigated via dielectric and nuclear magnetic resonance (NMR) techniques. Static- and pulsed-field gradient proton NMR yielded self-diffusion coefficients as a function of concentration and temperature. To monitor reorientational motions, broadband dielectric

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