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1,2-Dibromoethylene, mixture of cis and trans

1,2-Dibromoethylene, mixture of cis and trans - CAS 540-49-8

Catalog:	BB028474
Product Name:	1,2-Dibromoethylene, mixture of cis and trans
CAS:	540-49-8
Synonyms:	1,2-dibromoethene

Technical Data

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Computed Properties

IUPAC Name:	(E)-1,2-dibromoethene
Description:	1,2-Dibromoethylene, mixture of cis/trans.
Molecular Weight:	185.85
Molecular Formula:	C2H2Br2
Canonical SMILES:	C(=CBr)Br
InChI:	InChI=1S/C2H2Br2/c3-1-2-4/h1-2H
InChI Key:	UWTUEMKLYAGTNQ-UHFFFAOYSA-N
Boiling Point:	108 ℃ at 760 mmHg
Melting Point:	-6.5 °C /Trans-isomer/
Purity:	98+ %
Density:	2.27 g/cm³
Solubility:	Sol in many org solvents
Appearance:	Colorless to yellow liquid
MDL:	MFCD00000184
LogP:	2.24740
Stability:	Liquid, Gradually decomposed by air, Moisture, Or light
Vapor Pressure:	31.0 [mmHg]

Publication Number	Title	Priority Date
CN-113456840-A	Preparation method and application of novel ionic liquid functionalized injectable conductive hydrogel	20210630
CN-113200976-A	3-aryl azabicyclo derivatives, preparation thereof and nematicidal application thereof	20210517
CN-111393403-A	Preparation method of vinylene carbonate	20200427
WO-2021200933-A1	Acrylic copoymer, acrylic copoymer-containing composition and crosslinked product of same	20200331
WO-2021201009-A1	Acrylic rubber, acrylic rubber-containing composition, and crosslinked rubber	20200331

PMID	Publication Date	Title	Journal
20821656	20100901	Toxicity of brominated volatile organics to freshwater biota	Environmental toxicology and chemistry
19888999	20100201	Reductive dehalogenation of brominated ethenes by Sulfurospirillum multivorans and Desulfitobacterium hafniense PCE-S	Environmental microbiology
20568861	20091021	Photodissociation of the geometric isomers of 1,2-dibromoethylene	The Journal of chemical physics
18990465	20090126	Zero valent iron remediation of a mixed brominated ethene contaminated groundwater	Journal of contaminant hydrology
18481339	20080602	Photodissociation of 1,2-dibromoethylene at 248 nm: Br2 molecular elimination probed by cavity ring-down absorption spectroscopy	Chemphyschem : a European journal of chemical physics and physical chemistry

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	19.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	185.85028
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.85233
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9