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| CAS No.: | 54211-46-0 |
|---|---|
| Name: | 4-Cyano-4'-pentylterphenyl |
| Article Data: | 3 |
| Molecular Structure: | |
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|
|
| Formula: | C24H23N |
| Molecular Weight: | 325.453 |
| Synonyms: | 1-Pentyl[4,1':4',1'']terphenyl-4''-carbonitrile;4-(p-Pentylphenyl)-4'-cyanobiphenyl;4-Cyano-4'-pentyl-p-terphenyl;4-Cyano-4''-n-pentyl-1,1',1''-terphenyl;4-Cyano-4''-pentyl-p-terphenyl;4-Cyano-4''-pentylterphenyl;4-Pentyl-4'-cyano-p-terphenyl;4-Pentyl-4''-cyano-p-terphenyl;4''-Pentyl-4-cyano-p-terphenyl;4''-Pentyl-p-terphenyl-4-carbonitrile;5CT;5TP;T 15;p-Pentyl-p'-cyanoterphenyl; |
| EINECS: | 259-028-9 |
| Density: | 1.08 g/cm3 |
| Melting Point: | 128-130°C |
| Boiling Point: | 508.7 °C at 760 mmHg |
| Flash Point: | 263.6 °C |
| Risk Codes: | 20/21-36/37/38-65 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3276 |
| PSA: | 23.79000 |
| LogP: | 6.62498 |
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Chemistry
IUPAC Name: 4-[4-(4-Pentylphenyl)phenyl]benzonitrile
Synonyms of [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl- (CAS NO.54211-46-0): 4-Cyano-4'-pentylterphenyl ; 4''-Pentyl-p-terphenyl-4-carbonitrile ; 4-[4-(4-pentylphenyl)phenyl]benzonitrile
CAS NO: 54211-46-0
Molecular Formula: C24H23N
Molecular Weight: 325.45
Molecular Structure: 
EINECS: 259-028-9
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 23.79 Å2
Index of Refraction: 1.608
Molar Refractivity: 103.87 cm3
Molar Volume: 300.2 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.08 g/cm3
Flash Point: 263.6 °C
Enthalpy of Vaporization: 77.91 kJ/mol
Boiling Point: 508.7 °C at 760 mmHg
Vapour Pressure: 1.81E-10 mmHg at 25°C
Melting Point: 128-130°C
Appearance: White solid
Product Categories of [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl- (CAS NO.54211-46-0): electronic;Biphenyl & Diphenyl ether
SMILES: N#Cc1ccc(cc1)c3ccc(c2ccc(cc2)CCCCC)cc3
InChI: InChI=1/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3
InChIKey: AITQOXOBSMXBRV-UHFFFAOYAA
Std. InChI: InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3
Std. InChIKey: AITQOXOBSMXBRV-UHFFFAOYSA-N
Uses
[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl- (CAS NO.54211-46-0) is used for intermediates of liquid crystals.
Safety Profile
Risk Statements: 20/21-36/37/38-65
R20/21: Harmful by inhalation and in contact with skin.
R36/37/38: Irritating to eyes, respiratory system and skin.
R65: Harmful: may cause lung damage if swallowed.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
HazardClass: 6.1
PackingGroup: III