Dimethyl chloromalonate - CAS 28868-76-0

Catalog:	BB019994
Product Name:	Dimethyl chloromalonate
CAS:	28868-76-0
Synonyms:	dimethyl 2-chloropropanedioate

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Computed Properties

IUPAC Name:	dimethyl 2-chloropropanedioate
Description:	Dimethyl chloromalonate (CAS# 28868-76-0) is a useful research chemical compound.
Molecular Weight:	166.56
Molecular Formula:	C5H7ClO4
Canonical SMILES:	COC(=O)C(C(=O)OC)Cl
InChI:	InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChI Key:	LNBQBURECUEBKZ-UHFFFAOYSA-N
Boiling Point:	105-106 ℃ (19 mmHg)
Purity:	95 %
Density:	1.305 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00042837
LogP:	-0.06020

Publication Number	Title	Priority Date
CN-113072505-A	Preparation method of pentadeuterium atom substituted 2-thiophenobarbital	20210325
CN-113045447-A	2-amino malonamide and synthetic method thereof	20210316
WO-2020245724-A1	Multifunctional fluorinated compound, fluorinated polymers made from the compound, and related methods	20190604
WO-2020214545-A1	Process for preparing carbamoyloxymethyl triazole cyclohexyl acid compounds	20190416
CN-109824512-A	A kind of preparation method of 2- fluorine dimethyl malenate	20190226

PMID	Publication Date	Title	Journal
16958552	20060915	Stereoselective synthesis of highly functionalized nitrocyclopropanes via organocatalyic conjugate addition to nitroalkenes	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

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1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H314 (97.56%): 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

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0032864
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.0032864
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9