4-Cyano-4'-octylbiphenyl

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H25N
Molecular Weight	291.4299
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Cyano-4'-octylbiphenyl

Structure Search

SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChIKey=CSQPODPWWMOTIY-UHFFFAOYSA-N

InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H25N
Molecular Weight	291.4299
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:44:50 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:50 GMT 2025`
Record UNII	KLS5T77XPV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(1,1'-Biphenyl)-4-carbonitrile, 4'-octyl-

Preferred Name

English

4-Cyano-4'-octylbiphenyl

Common Name

English

4-(4-octylphenyl)benzonitrile

Systematic Name

English

4'-Octyl(1,1'-biphenyl)-4-carbonitrile

Systematic Name

English

CB-8

Code

English

K-24

Code

English

4-Octylcyanodiphenyl

Common Name

English

Code System Code Type Description

PUBCHEM

104289

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID5068786

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

PRIMARY

CAS

52709-84-9

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

PRIMARY

FDA UNII

KLS5T77XPV

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

PRIMARY

ECHA (EC/EINECS)

258-120-6

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

PRIMARY