Vinylene carbonate - CAS 872-36-6

Catalog:	BB038351
Product Name:	Vinylene carbonate
CAS:	872-36-6
Synonyms:	1,3-dioxol-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-dioxol-2-one
Description:	Vinylene carbonate (CAS# 872-36-6) is an inhibitor of breast cancer stem cells, with greater than 23 fold selectivity of inhibition in the cell line.
Molecular Weight:	86.05
Molecular Formula:	C3H2O3
Canonical SMILES:	C1=COC(=O)O1
InChI:	InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
InChI Key:	VAYTZRYEBVHVLE-UHFFFAOYSA-N
Boiling Point:	162 ℃
Melting Point:	19-22 ℃
Flash Point:	176.0 ℃
Purity:	> 97.0 % (GC)
Density:	1.355 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	2-8 ℃
MDL:	MFCD00005380
LogP:	0.23280
Refractive Index:	1.42

Publication Number	Title	Priority Date
US-2015380739-A1	Negative electrode plate for nonaqueous electrolyte secondary battery and method of producing the same	20140630
US-2015366887-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
WO-2015200205-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
WO-2015200219-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
WO-2015196088-A1	Porous silicon electrode and method	20140620

PMID	Publication Date	Title	Journal
20728357	20101001	Novel amides and esters prodrugs of olmesartan: Synthesis, bioconversion, and pharmacokinetic evaluation	Bioorganic & medicinal chemistry letters
20066273	20100121	Diastereoselective synthesis of (+/-)-1',4'-dimethyluridine	Organic & biomolecular chemistry
19539519	20090915	Structural and vibrational studies of molecular conductors using quantum mechanical methods: 1,3-Dithiole-2-thione, 1,3-dithiole-2-one, 1,3-dioxole-2-one and 1,3-dioxole-2-thione	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
19672530	20090907	Transport properties of ionic liquid electrolytes with organic diluents	Physical chemistry chemical physics : PCCP
21577778	20090905	3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxolan-5-yl)-5-(4-chloro-phen-yl)-4-nitro-2-phenyl-2,3,4,5-tetra-hydro-isoxazole	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Other Building Blocks

[147396-07-4]
(E)-1-(Benzo[b] thiophen- 2- yl)ethanone Oxime
[88563-82-0]
1- (1- Bromoethyl) - 3- methylbenzene
[128076-60-8]
1- (2- Aminophenyl) - 2- iodoethanone
[29278-68-0]
1,4-Butanediol Terephthalate Dibenzyl Ester
[1365727-07-6]
6-Methyldi(ondansetron-3-de(1,2-dimethyl-1H-imidazole))
[868161-59-5]
(E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal

GHS Hazard Statement:	H302 (84.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	84.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.000393922
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	86.000393922
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3