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

Name: Ethyl cis-3-bromoacrylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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 °C at 760 mmHg
Purity:	95 %
Density:	1.48 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Storage:	2-8 °C
MDL:	MFCD00674501
LogP:	1.45810

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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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

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

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