1,1'-Diheptyl-4,4'-bipyridinium dibromide

HCID 80262CAS 6159-05-3

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1.[Br-].[Br-]
InChIKey: VRXAJMCFEOESJO-UHFFFAOYSA-L
Molecular formula: C24H38Br2N2
Average molar mass: 514.4 g/mol
Monoisotopic mass: 512.14017342

Names & identifiers

Preferred name: 1,1'-Diheptyl-4,4'-bipyridinium dibromide
IUPAC: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium dibromide

Names & synonyms

1,1'-Diheptyl-4,4'-bipyridinium dibromideDTXSID90889503RefChem:906551DTXCID601028756228-178-76159-05-3DHBP dibromide1,1'-Diheptyl-[4,4'-bipyridine]-1,1'-diium bromideDHBP (dibromide)Diheptylviologen dibromideMFCD000119971,1'-di-n-Heptyl-4,4'-bipyridinium dibromide

Show more names

4,4'-Bipyridinium, 1,1'-diheptyl-, dibromide1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide1,1'-Diheptyl-4,4'-bipyridinium Dibromide [for Electrochromic Material]C24H38Br2N2SR-01000396821SCHEMBL5984891,1-DI-N-HEPTYL-4,4-BIPYRIDINIUM DIBROMIDEorb1220434

Database identifiers

CAS: 6159-05-3
PubChem CID: 80262
DTXSID: DTXSID90889503
EC Number: 228-178-7

Properties

Computed structural properties

Topological polar surface area: 7.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 28
Formal charge: 0
Complexity: 282

Experimental & physicochemical properties

PesticidesPesticides -> Herbicides, Bipyridyl

Physical DescriptionYellow hygroscopic solid; [Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.