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Merck
CN

125903

1,3-Dibromopropane

99%, liquid, ReagentPlus®

Synonym(s):

Trimethylene dibromide

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About This Item

Linear Formula:
Br(CH2)3Br
CAS Number:
109-64-8
Molecular Weight:
201.89
NACRES:
NA.21
PubChem Substance ID:
24847685
UNSPSC Code:
12352100
EC Number:
203-690-3
MDL number:
MFCD00000255
Beilstein/REAXYS Number:
635662

Key Documents

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Product Name

1,3-Dibromopropane, ReagentPlus®, 99%

InChI key

VEFLKXRACNJHOV-UHFFFAOYSA-N

InChI

1S/C3H6Br2/c4-2-1-3-5/h1-3H2

SMILES string

BrCCCBr

vapor density

7 (vs air)

product line

ReagentPlus®

assay

99%

form

liquid

refractive index

n20/D 1.524 (lit.)

bp

167 °C (lit.)

mp

−34 °C (lit.)

density

1.989 g/mL at 25 °C (lit.)

Quality Level

100

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Application

1,3-Dibromopropane may be used in the preparation of chiral geminal dicationic ionic liquid and 1,3-bis(1-7′-chloro-4-quinolyl-4- piperazinyl)propane.3

General description

1,3-Dibromopropane is a dihalogenated propane. It undergoes reduction catalyzed by electrogenerated solution-phase nickel(I) salen and nickel(I) salen confined in a polymer film on the surface of a carbon electrode to afford cyclopropane and propylene, respectively.

Legal Information

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

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Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

129.2 °F - closed cup

flash_point_c

54 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6669
SDBB3690
SDBB1379
STBL1329
STBK9942

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Synthesis of Chiral Geminal Dicationic Ionic Liquid from Amino Acids.
Yin A, et al.
Asian Journal of Chemistry, 25(12), 6721-6721 (2013)
Catalytic reduction of α,ω-dihaloalkanes with nickel (I) salen as a homogeneous-phase and polymer-bound mediator.
Dahm CE and Peters DG.
Journal of Electroanalytical Chemistry, 406(1), 119-129 (1996)
Rasmus Y Brogaard et al.
The journal of physical chemistry. A, 112(42), 10481-10486 (2008-09-30)
We have conducted wave packet simulations of excited-state dynamics of 1,3-dibromopropane (DBP) with the aim of reproducing the experimental results of the gas-phase pump-probe experiment by Kotting et al. [ Kotting, C. ; Diau, E. W.-G. ; Sølling, T. I.
A R Jones et al.
Xenobiotica; the fate of foreign compounds in biological systems, 11(8), 541-546 (1981-08-01)
1. The metabolism of 1,3-dibromopropane had been investigated in the rat. Two conjugated metabolites have been isolated from the urine and identified as S-(3-hydroxypropyl)cysteine and N-acetyl-S-(3-hydroxypropyl)cysteine. 2. An oxidation product, identified as beta-bromolactic acid, has been isolated as a urinary
Sang Kyu Lee et al.
Journal of toxicology and environmental health. Part A, 70(15-16), 1381-1390 (2007-07-27)
To determine a possible role of glutathione (GSH) conjugation in 1,3-dibromopropane (1,3-DBP)-induced hepatotoxicity and immunotoxicity, female BALB/c mice were treated orally with 1,3-DBP. Based on the liquid chromatography/electrospray ionization-tandem mass spectrometry (LC/ESI-MS) analyses, two forms of S-bromopropyl GSH were observed
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