CAS 35691-65-7|2-bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromomethyl)pentanedinitrile|1,2-Dibromo-2,4-dicyanobutane|1,2-二溴-2,4-二氰基丁烷|1,2-Dibromo-2,4-dicyanobutane|methyldibromo gluta...

General Information

Structure

Molecular Formula

C₆H₆Br₂N₂

Molecular Mass

265.93324

Exact Mass

263.8897722

Charge

InChI

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

InChIKey

DHVLDKHFGIVEIP-UHFFFAOYSA-N

Canonic Smiles

N#CCCC(C#N)(CBr)Br

Isomeric Smiles

N#CC(CCC#N)(CBr)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7569476

LogD (pH = 7.4)

1.7569476

Log P

1.7569476

Molar Refractivity

45.9148

Polarizability

17.430092

Polar Surface Area

47.58

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1,2-Dibromo-2,4-dicyanobutane1,2-二溴-2,4-二氰基丁烷2-Bromo-2-(bromomethyl)glutaronitrile1,2-Dibromo-2,4-dicyanobutane甲基二溴戊二腈1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrileMethyldibromoglutaronitrile2-溴-2-(溴甲基)戊二腈1,2-Dibromo-2,4-dicyanobutane1,2-二溴-2,4-二氰丁烷1-溴-1-(溴甲基)-1,3-丙烷二甲腈

IUPAC name

2-bromo-2-(bromomethyl)pentanedinitrile

IUPAC Traditional name

2-bromo-2-(bromomethyl)pentanedinitrile methyldibromo glutaronitrile

Names and Identifiers

Registration numbers

MDL Number

MFCD00072483

CAS Number

35691-65-7

EC Number

252-681-0