Ethyl Dibromoacetate - CAS 617-33-4

Catalog:	BB031238
Product Name:	Ethyl Dibromoacetate
CAS:	617-33-4
Synonyms:	2,2-dibromoacetic acid ethyl ester; ethyl 2,2-dibromoacetate

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Computed Properties

IUPAC Name:	ethyl 2,2-dibromoacetate
Description:	Ethyl Dibromoacetate (CAS# 617-33-4 ) is a useful research chemical.
Molecular Weight:	245.90
Molecular Formula:	C4H6Br2O2
Canonical SMILES:	CCOC(=O)C(Br)Br
InChI:	InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChI Key:	NIJGVVHCUXNSLL-UHFFFAOYSA-N
Boiling Point:	77 °C (12 mmHg)
Density:	1.902 g/cm³
LogP:	1.66540

Publication Number	Title	Priority Date
CN-112390922-A	Solvent-based high molecular weight dispersant	20201112
CN-112390922-B	Solvent-based high molecular weight dispersant	20201112
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
CN-112574236-A	RET inhibitor, pharmaceutical composition and application thereof	20190929
WO-2021057970-A1	Ret inhibitor, pharmaceutical composition thereof and use thereof	20190929

PMID	Publication Date	Title	Journal
16018713	20050722	An easy, efficient, and completely stereoselective synthesis of (E)-alpha,beta-unsaturated esters via sequential aldol-type/elimination reactions promoted by samarium diiodide or chromium dichloride	The Journal of organic chemistry

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	82.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.87141
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.87345
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2