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

ChEBI IDCHEBI:62823
ChEBI Name2-bromo-2-(bromomethyl)pentanedinitrile
Stars
DefinitionAn organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2.
Last Modified23 July 2019
SubmitterSteve
DownloadsMolfile
FormulaC6H6Br2N2
Net Charge0
Average Mass265.936
Monoisotopic Mass263.88977
SMILESN#CCCC(Br)(C#N)CBr
InChIInChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
InChIKeyDHVLDKHFGIVEIP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
Euxyl K 400 (CHEBI:144318) has part 2-bromo-2-(bromomethyl)pentanedinitrile (CHEBI:62823)
IUPAC Name 
2-bromo-2-(bromomethyl)pentanedinitrile
Synonyms  Source
2-Bromo-2-bromomethylglutaronitrileChemIDplus
1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrileChemIDplus
MethyldibromoglutaronitrileChemIDplus
1,2-Dibromo-2,4-dicyanobutaneChemIDplus
2-Bromo-2-(bromomethyl)glutaronitrileChemIDplus
BromothalonilChemIDplus
Manual XrefsDatabases
EP1188377Patent
CN101617668Patent
CN101642109Patent
CN101595876Patent
CN101595879Patent
Methyldibromo_glutaronitrileWikipedia
Registry NumbersSources
Reaxys:1930600Reaxys
CAS:35691-65-7ChemIDplus
Citations