1,1-dichloroethene (CHEBI:34031)

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CHEBI:34031 - 1,1-dichloroethene

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ChEBI Name	1,1-dichloroethene

ChEBI ID	CHEBI:34031

Definition	A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB8292656, ChemicalBook:CB5208584, eMolecules:475163, ZINC000008437654

Download	Molfile XML SDF

more structures >>

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6 5 0 0 0 0 999 V2000

-0.7863 0.0015 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0

0.5505 0.0015 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0

1.3981 1.0974 0.9297 Cl 0 0 0 0 0 0 0 0 0 0 0 0

1.4383 -1.0945 -0.8661 Cl 0 0 0 0 0 0 0 0 0 0 0 0

-1.3124 0.6588 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.2882 -0.6557 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0

5 1 1 0 0 0 0

1 2 2 0 0 0 0

1 6 1 0 0 0 0

2 4 1 0 0 0 0

2 3 1 0 0 0 0

M END): 15 ms

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Wikipedia	License
1,1-Dichloroethylene, commonly called vinylidene chloride or 1,1-DCE, is an organochloride with the molecular formula CCl2CH2. It is a colorless liquid with a sharp odor. Like most chlorocarbons, it is poorly soluble in water but soluble in organic solvents. 1,1-DCE was the precursor to the original clingwrap, Saran, for food, but this application has been phased out.
Read full article at Wikipedia

Formula

C2H2Cl2

Net Charge

Average Mass

96.94268

Monoisotopic Mass

95.95336

InChI

InChI=1S/C2H2Cl2/c1-2(3)4/h1H2

InChIKey

LGXVIGDEPROXKC-UHFFFAOYSA-N

SMILES

ClC(Cl)=C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	1,1-dichloroethene (CHEBI:34031) has role carcinogenic agent (CHEBI:50903) 1,1-dichloroethene (CHEBI:34031) has role mouse metabolite (CHEBI:75771) 1,1-dichloroethene (CHEBI:34031) has role mutagen (CHEBI:25435) 1,1-dichloroethene (CHEBI:34031) is a chloroethenes (CHEBI:23142)

IUPAC Name

1,1-dichloroethene

Synonyms	Sources
1,1-DCE	KEGG COMPOUND
1,1-dichloroethene	UniProt
1,1-Dichloroethylene	KEGG COMPOUND
Vinylidene chloride	KEGG COMPOUND
vinylidene dichloride	ChemIDplus

Manual Xrefs	Databases
1,1-Dichloroethene	Wikipedia
C14039	KEGG COMPOUND
View more database links

Registry Numbers	Types	Sources
100784	Gmelin Registry Number	Gmelin
1733365	Reaxys Registry Number	Reaxys
75-35-4	CAS Registry Number	NIST Chemistry WebBook
75-35-4	CAS Registry Number	ChemIDplus

Citations

Last Modified

19 July 2021

CHEBI:34031 - 1,1-dichloroethene

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