1,4-Dibromobutane - CAS 110-52-1

Name: 1,4-Dibromobutane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002639
Product Name:	1,4-Dibromobutane
CAS:	110-52-1
Synonyms:	1,4-dibromobutane

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,4-dibromobutane
Description:	1,4-Dibromobutane (CAS# 110-52-1) is used as a catalyst in the polymerization of 2-oxazolines. Also used in the synthesis of cholinesterase inhibitors used against Alzheimer's disease.
Molecular Weight:	215.91
Molecular Formula:	C4H8Br2
Canonical SMILES:	C(CCBr)CBr
InChI:	InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
InChI Key:	ULTHEAFYOOPTTB-UHFFFAOYSA-N
Boiling Point:	197 °C
Purity:	99 %
Density:	1.808 g/cm³
Appearance:	Clear, colorless liquid
MDL:	MFCD00000261
LogP:	2.55640

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

GHS Hazard Statement:	H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22579333	20120901	Template synthesis, spectroscopic characterization and preliminary insulin-mimetic activity of oxovanadium(IV) complexes with N₂O₂ diazadioxa macrocycles	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22605506	20120626	Molecular level ordering in poly(2-vinylpyridine)	Advanced materials (Deerfield Beach, Fla.)
22590316	20120501	1,1'-(Butane-1,4-di-yl)bis-[2-(pyridin-2-yl)-1H-benzimidazole]	Acta crystallographica. Section E, Structure reports online
21754847	20110601	1,4-Bis[2-(prop-1-en-yl)phen-oxy]butane	Acta crystallographica. Section E, Structure reports online
21773062	20110401	Synthesis and Biological Evaluation of New 3-Phenyl-1-[(4-arylpiperazin-1-yl)alkyl]-piperidine-2,6-diones	Scientia pharmaceutica

Complexity:	17.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.89723
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.89928
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5