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08953

Supelco

1-Bromobutane

analytical standard

Synonym(s):

Butyl bromide

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About This Item

Linear Formula:
CH3(CH2)3Br
CAS Number:
109-65-9
Molecular Weight:
137.02
Beilstein:
1098260
EC Number:
203-691-9
MDL number:
MFCD00000260
UNSPSC Code:
41116107
PubChem Substance ID:
329748647
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

4.7 (vs air)

vapor pressure

150 mmHg ( 50 °C)
40 mmHg ( 25 °C)

Assay

≥99.5% (GC)

autoignition temp.

509 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

2.8-6.6 %, 100 °F

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.439 (lit.)
n20/D 1.440

bp

100-104 °C (lit.)

mp

−112 °C (lit.)

density

1.276 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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 organobromine compound, is a commonly used industrial solvent for cleaning, extraction and chemical synthesis.

Application

1-Bromobutane may be used as a derivatization reagent for multiple functional groups (amino, carboxyl, and phenolic hydroxyl groups) of amino acids to improve hydrophobicities and basicities of the amino acids. It may also be used as an internal standard for the quantification of 1- and 2-bromopropane in human urine by headspace gas chromatography.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Carc. 2 - Flam. Liq. 2 - Repr. 1B - Skin Irrit. 2 - STOT RE 2 - 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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Certificates of Analysis (COA)

Lot/Batch Number
BCCL7366
BCCK5613
BCCF7439
BCCD4011
BCBW7313

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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
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
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
Damion K Corrigan et al.
The Journal of pharmacy and pharmacology, 61(4), 533-537 (2009-03-21)
Alkylating agents are potentially genotoxic impurities that may be present in drug products. These impurities occur in pharmaceuticals as by-products from the synthetic steps involved in drug production, as impurities in starting materials or from in-situ reactions that take place
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