Diethyl dibromomalonate - CAS 631-22-1

Name: Diethyl dibromomalonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032008
Product Name:	Diethyl dibromomalonate
CAS:	631-22-1
Synonyms:	diethyl 2,2-dibromopropanedioate

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Computed Properties

IUPAC Name:	diethyl 2,2-dibromopropanedioate
Description:	Diethyl dibromomalonate (CAS# 631-22-1) is a useful research chemical compound.
Molecular Weight:	317.96
Molecular Formula:	C7H10Br2O4
Canonical SMILES:	CCOC(=O)C(C(=O)OCC)(Br)Br
InChI:	InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChI Key:	PFZYFZRUPFUEOB-UHFFFAOYSA-N
Boiling Point:	108 °C (4 torr)
Density:	1.68 g/cm³
Appearance:	Liquid
MDL:	MFCD00015154
LogP:	1.59870

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111116475-A	Synthesis method of Î± dibromide of Î± -heterocyclic carbonyl compound	20191219
WO-2021076838-A1	Methods for the preparation of 5-bromo-2-(3-chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018
CN-105523874-A	Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives	20151214
WO-2017100985-A1	Preparation method for 2,2-dihalo-1,3-dicarbonyl derivatives	20151214
CN-108349949-A	N- substituted indole derivatives as PGE2 receptor modulators	20151120

PMID	Publication Date	Title	Journal
19694429	20090916	Reductive and brominative termination of alkenol cyclization in aerobic cobalt-catalyzed reactions	Journal of the American Chemical Society
17611612	20070101	Lower-rim substituted calixarenes and their applications	Bioinorganic chemistry and applications

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.89253
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.89458
Rotatable Bond Count:	6
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4