CAS No.52709-86-1,[1,1'-Biphenyl]-4-carbonitrile,4'-propoxy- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52709-86-1
Name:	[1,1'-Biphenyl]-4-carbonitrile,4'-propoxy-
Article Data:	3
Cas Database

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)
Appearance:	N/A
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	26-36/37-60
Transport Information:	N/A
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 .