2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823)

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ChEBI Name	2-bromo-2-(bromomethyl)pentanedinitrile

ChEBI ID	CHEBI:62823

Definition	An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2.

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

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Formula

C6H6Br2N2

Net Charge

Average Mass

265.93300

Monoisotopic Mass

263.88977

InChI

InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2

InChIKey

DHVLDKHFGIVEIP-UHFFFAOYSA-N

SMILES

BrCC(Br)(CCC#N)C#N

Roles Classification
Biological Role(s):	sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823) has role allergen (CHEBI:50904) 2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823) has role sensitiser (CHEBI:139492) 2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823) is a aliphatic nitrile (CHEBI:80291) 2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823) is a organobromine compound (CHEBI:37141)

Incoming	Euxyl K 400 (CHEBI:144318) has part 2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823)

IUPAC Name

2-bromo-2-(bromomethyl)pentanedinitrile

Synonyms	Sources
1,2-Dibromo-2,4-dicyanobutane	ChemIDplus
1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile	ChemIDplus
2-Bromo-2-(bromomethyl)glutaronitrile	ChemIDplus
2-Bromo-2-bromomethylglutaronitrile	ChemIDplus
Bromothalonil	ChemIDplus
MDGN	ChEBI
Methyldibromo glutaronitrile	ChemIDplus
Methyldibromoglutaronitrile	ChemIDplus

Manual Xrefs	Databases
CN101595876	Patent
CN101595879	Patent
CN101617668	Patent
CN101642109	Patent
EP1188377	Patent
Methyldibromo_glutaronitrile	Wikipedia
View more database links

Last Modified

23 July 2019