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8Cb
CAS: 52709-84-9 | C21H25N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52709-84-9
Molecular Formula:
C21H25N
Molecular Mass:
291.44 g/mol
Names and Synonyms:
8Cb
[1,1′-Biphenyl]-4-carbonitrile, 4′-octyl-
4′-Octyl[1,1′-biphenyl]-4-carbonitrile
4-Cyano-4′-octyl-1,1′-biphenyl
4-Cyano-4′-octylbiphenyl
p-Cyano-p′-octylbiphenyl
4′-n-Octyl-4-cyanobiphenyl
4′-Octyl-4-biphenylcarbonitrile
4-Octyl-4′-cyanobiphenyl
4-Cyano-4′-n-octylbiphenyl
4′-Octyl-4-cyanobiphenyl
4-n-Octyl-4′-cyanobiphenyl
p-Octyl-p′-cyanobiphenyl
CB 8 (liquid crystal)
K 24 (liquid crystal)
K 24
80BF
8CB
p-n-Octyl-p′-cyanobiphenyl
OCBP
8TsB
CB 8
FR 2221
8CB (liq. crystal)
Identifiers:
SMILES:
CCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
InChI:
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
Key Properties
Boiling Point
215-218 °C @ Press: 2 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.44 g/mol | CAS Common Chemistry |
| 291.43800000000005 g/mol | RDKit | |
| 291.1986998 g/mol | RDKit | |
| Boiling Point | 215-218 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CC=1C=CC(=CC1)C2=CC=C(C=C2)CCCCCCCC | CAS Common Chemistry |
| InChI | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=CSQPODPWWMOTIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 8CB | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 6.128280000000006 | RDKit |
| Molar Refractivity | 93.67300000000006 | RDKit |
