Ethyl cis-3-bromoacrylate - CAS 31930-34-4

Catalog:	BB021103
Product Name:	Ethyl cis-3-bromoacrylate
CAS:	31930-34-4
Synonyms:	ethyl (Z)-3-bromoprop-2-enoate

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Computed Properties

IUPAC Name:	ethyl (Z)-3-bromoprop-2-enoate
Description:	Ethyl cis-3-Bromoacrylate acts as a reagent in the synthetic preparation of aristeromycin and also in the preparation of lipoxin derivatives as new anti-inflammatory compounds.
Molecular Weight:	179.01
Molecular Formula:	C5H7BrO2
Canonical SMILES:	CCOC(=O)C=CBr
InChI:	InChI=1S/C5H7BrO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChI Key:	UJTJVQIYRQALIK-ARJAWSKDSA-N
Boiling Point:	173.7 ℃ at 760 mmHg
Purity:	95 %
Density:	1.48 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Storage:	2-8 ℃
MDL:	MFCD00674501
LogP:	1.45810

Publication Number	Title	Priority Date
CN-107868169-B	Body flame-retardant plastic-wood composite material and preparation method thereof	20171214
US-2009053175-A1	Substitute pyrrolidine derivatives	20070824
AU-2007253572-A1	Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors	20060523
AU-2007253572-B2	Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors	20060523
AU-2007253572-B9	Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors	20060523

PMID	Publication Date	Title	Journal
15456269	20041007	Stereoselective synthesis of sugar-modified enyne analogues of adenosine and uridine. Interaction with S-adenosyl-L-homocysteine hydrolase and antiviral and cytotoxic effects	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

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[51493-02-8]
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[35153-16-3]
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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	177.96294
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.96294
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4