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Merck
CN

156574

1,3-Dibromobutane

97%

Synonym(s):

1,3-Butylenebromide

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About This Item

Linear Formula:
CH3CHBrCH2CH2Br
CAS Number:
Molecular Weight:
215.91
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-520-8
Beilstein/REAXYS Number:
1731231
MDL number:
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Product Name

1,3-Dibromobutane, 97%

InChI key

XZNGUVQDFJHPLU-UHFFFAOYSA-N

InChI

1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3

SMILES string

CC(Br)CCBr

assay

97%

form

liquid

refractive index

n20/D 1.5080 (lit.)

bp

175 °C (lit.)

density

1.8 g/mL at 25 °C (lit.)

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Application

It has been to investigate its molecular structure and conformational composition by gas-phase electron diffraction and ab initio methods.

pictograms

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Warning

hcodes

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Molecular Structure and Conformational Composition of 1,3-Dichlorobutane and 1,3-Dibromobutane. A Gas-Phase Electron Diffraction and ab Initio Investigation.
Aarset K, et al.
The Journal of Physical Chemistry, 99(28), 11089-11094 (1995)
Rahul A Patil et al.
Analytical and bioanalytical chemistry, 410(19), 4645-4655 (2018-01-31)
The rapid expansion in the study and use of ionic liquids (ILs) is a result of their unique properties including negligible volatility, high thermal stability, and ability to dissolve disparate compounds. However, because ILs have infinitely variable structures (often referred

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