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B59497

Sigma-Aldrich

1-Bromobutane

ReagentPlus®, 99%

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Synonym(s):
Butyl bromide
Linear Formula:
CH3(CH2)3Br
CAS Number:
Molecular Weight:
137.02
Beilstein/REAXYS Number:
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

signalword

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

wgk_germany

WGK 2

flash_point_f

50.0 °F

flash_point_c

10 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Rate coefficients for the reactions of hydrogen atoms with 1-bromopropane, 2-bromopropane, 1-bromobutane, and 2-bromobutane.
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International Journal of Chemical Kinetics, 30(10), 721-727 (1998)
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Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48(10), 2707-2711 (2010-07-06)
Halogenated organic compounds, such as 1-bromobutane (1-BB), have been used as cleaning agents, agents for chemical syntheses, or extraction solvents. In the present study, hepatotoxic effects of 1-BB and its conjugation with glutathione (GSH) were investigated in female BALB/c mice.
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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

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