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52709-87-2

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Basic Information
CAS No.: 52709-87-2
Name: 4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile
Article Data: 4
Molecular Structure:
Molecular Structure of 52709-87-2 (4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile)
Formula: C17H17NO
Molecular Weight: 251.328
Synonyms: 4-(n-Butoxy)-4'-cyano-1,1'-biphenyl;4-Cyano-4'-n-butoxybiphenyl;4OCB;4'-Butoxy-1,1'-biphenyl-4-carbonitrile;4'-Butoxy-4-biphenylcarbonitrile;4'-Butoxy-4-cyanobiphenyl;4'-n-Butyloxy-4-cyanobiphenyl;
EINECS: 258-123-2
Density: 1.08 g/cm3
Melting Point: 75.0 to 79.0 °C
Boiling Point: 405.5 °C at 760 mmHg
Flash Point: 170.3 °C
PSA: 33.02000
LogP: 4.40418
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Chemistry

 The Molecular Structure of (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- (CAS NO.52709-87-2 ):

Molecular Formula: C17H17NO
Molecular Weight: 251.322980 g/mol
IUPAC: 4-(4-butoxyphenyl)benzonitrile
Product Categories: Biphenyl & Diphenyl ether
Nominal Mass: 251 Da
Average Mass: 251.323 Da
Monoisotopic Mass: 251.131014 Da 
Index of Refraction: 1.573
Molar Refractivity: 76.28 cm3
Molar Volume: 231.3 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.08 g/cm3
Flash Point: 170.3 °C
Enthalpy of Vaporization: 65.71 kJ/mol
Boiling Point: 405.5 °C at 760 mmHg
Vapour Pressure: 8.72E-07 mmHg at 25°C 
InChI
InChI=1/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
Smiles
N#Cc1ccc(c2ccc(OCCCC)cc2)cc1 

Uses

 (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- (CAS NO.52709-87-2 ) is used as intermediates of liquid crystals.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.
rat LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.

Specification

 (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy- (CAS NO.52709-87-2 ) is also called as 4'-Butoxy-(1,1'-biphenyl)-4-carbonitrile ; 4-Butoxycyanodiphenyl ; 4-Cyano-4'-butoxybiphenyl ; 4OCB ; BRN 2731691 ; EINECS 258-123-2 ; 4'-Butoxy(1,1'-biphenyl)-4-carbonitrile .