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Merck
CN

19681

Sigma-Aldrich

1-Bromobutane

purum, ≥96.0% (GC)

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:
12352100
PubChem Substance ID:
24851796

Key Documents

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vapor density

4.7 (vs air)

vapor pressure

150 mmHg ( 50 °C)
40 mmHg ( 25 °C)

grade

purum

Assay

≥96.0% (GC)

autoignition temp.

509 °F

expl. lim.

2.8-6.6 %, 100 °F

impurities

≤0.5% sec-butyl bromide

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.)

SMILES string

CCCCBr

InChI

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

InChI key

MPPPKRYCTPRNTB-UHFFFAOYSA-N

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Masaharu Fujita et al.
Journal of applied toxicology : JAT, 39(2), 191-208 (2018-09-18)
The amino acid derivative reactivity assay (ADRA) is an in chemico alternative to animal testing for skin sensitization that solves certain problems found in the use of the direct peptide reactivity assay (DPRA). During a recent validation study conducted at

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