4-Cyano-4'-pentylterphenyl

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

 [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-pentyl- (CAS NO.54211-46-0) is used for intermediates of liquid crystals.

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