1,8-Dibromooctane - CAS 4549-32-0

Name: 1,8-Dibromooctane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025895
Product Name:	1,8-Dibromooctane
CAS:	4549-32-0
Synonyms:	1,8-dibromooctane

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Computed Properties

IUPAC Name:	1,8-dibromooctane
Description:	1,8-Dibromooctane (CAS# 4549-32-0) is used as a reagent in the synthesis of novel 7-aminoalkyl-substituted flavonoid derivatives as potential cholinesterase inhibitors.
Molecular Weight:	272.02
Molecular Formula:	C8H16Br2
Canonical SMILES:	C(CCCCBr)CCCBr
InChI:	InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChI Key:	DKEGCUDAFWNSSO-UHFFFAOYSA-N
Boiling Point:	270-272 °C
Melting Point:	15-16 °C
Purity:	98 %
Density:	1.477 g/cm³
Appearance:	Colourless to pale yellow liquid
MDL:	MFCD00000277
LogP:	4.11680

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Related Functional Groups

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]C8H10ClF2NO
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[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]C16H33Cl
1-Chlorohexadecane

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GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
20845462	20101101	Polyamine aza-cyclic compounds demonstrate anti-proliferative activity in vitro but fail to control tumour growth in vivo	Journal of pharmaceutical sciences
19194505	20090101	Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides	PloS one
21200747	20071206	Octane-1,8-diyldipyridinium dibromide dihydrate	Acta crystallographica. Section E, Structure reports online
17924692	20071101	Kinetics of molecular transport in a nanoporous crystal studied by confocal Raman microspectrometry: single-file diffusion in a densely filled tunnel	The journal of physical chemistry. B
16530806	20060901	Vapour pressures, aqueous solubility, Henry's law constants and air/water partition coefficients of 1,8-dichlorooctane and 1,8-dibromooctane	Chemosphere

Complexity:	47.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.95983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.96188
Rotatable Bond Count:	7
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3