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52709-86-1

Basic Information
CAS No.: 52709-86-1
Name: 4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile
Article Data: 3
Molecular Structure:
Molecular Structure of 52709-86-1 (4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile)
Formula: C16H15NO
Molecular Weight: 237.301
Synonyms: 3OCB;4-(n-Propoxy)-4'-cyano-1,1'-biphenyl;4-Cyano-4'-n-propyloxybiphenyl;4-Cyano-4'-propyloxybiphenyl;4'-Propoxy-4-biphenylcarbonitrile;p-Propyloxy-p'-cyanobiphenyl;
EINECS: 258-122-7
Density: 1.1 g/cm3
Melting Point: 168-169°C(lit.)
Boiling Point: 393.1 °C at 760 mmHg
Flash Point: 165.4 °C
Solubility: 213.6ug/L(21 oC)
Hazard Symbols: Xn,Xi
Risk Codes: 22-36/37/38
Safety: 26-36/37-60
PSA: 33.02000
LogP: 4.01408
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Chemistry

The Molecular Structure of (1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy- (CAS NO.52709-86-1):


Molecular Formula: C16H15NO
Molecular Weight: 237.296400 g/mol
IUPAC: 4-(4-propoxyphenyl)benzonitrile
Product Categories: Biphenyl & Diphenyl ether
Nominal Mass: 237 Da
Average Mass: 237.2964 Da
Monoisotopic Mass: 237.115364 Da 
Index of Refraction: 1.58
Molar Refractivity: 71.65 cm3
Molar Volume: 215 cm3
Surface Tension: 47.2 dyne/cm
Density: 1.1 g/cm3
Flash Point: 165.4 °C
Enthalpy of Vaporization: 64.29 kJ/mol
Boiling Point: 393.1 °C at 760 mmHg
Vapour Pressure: 2.19E-06 mmHg at 25°C 
InChI
InChI=1/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
Smiles
N#Cc1ccc(c2ccc(OCCC)cc2)cc1 

Uses

  (1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy- (CAS NO.52709-86-1) is used as intermediates of liquid crystals.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 700mg/kg (700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.
rat LD50 oral > 5gm/kg (5000mg/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'-propoxy- (CAS NO.52709-86-1) is also called as 3OCB ; 4'-Propoxy-(1,1'-biphenyl)-4-carbonitrile ; 4-Cyano-4'-propoxybiphenyl ; 4-Propoxycyanodiphenyl ; BRN 2807119 ; EINECS 258-122-7 .