4'-Methoxybiphenyl-4-carbonitrile supplier

Name
4'-methoxy[1,1'-biphenyl]-4-carbonitrile
EINECS 261-416-8
CAS No. 58743-77-4
Article Data212
CAS DataBase
Density 1.14g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁NO
Boiling Point 368.8 °C at 760 mmHg
Molecular Weight 209.247
Flash Point 155.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1OCB;4-(4-Methoxyphenyl)benzonitrile;4-Cyano-4'-methoxybiphenyl;4-Methoxy-4'-cyanobiphenyl;4'-Methoxy-1,1'-biphenyl-4-carbonitrile;4'-Methoxy-4-cyanobiphenyl;
PSA 33.02000
LogP 3.23388

4'-Methoxybiphenyl-4-carbonitrile Specification

The 4'-Methoxybiphenyl-4-carbonitrile with the CAS number 58743-77-4 is also called [1,1'-Biphenyl]-4-carbonitrile,4'-methoxy-. The IUPAC name is 4-(4-methoxyphenyl)benzonitrile. Its EINECS registry number is 261-416-8. The molecular formula is C₁₄H₁₁NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.96; (6)ACD/BCF (pH 7.4): 135.96; (7)ACD/KOC (pH 5.5): 1171.37; (8)ACD/KOC (pH 7.4): 1171.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 62.39 cm³; (15)Molar Volume: 182.4 cm³; (16)Polarizability: 24.73×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Enthalpy of Vaporization: 61.55 kJ/mol; (19)Vapour Pressure: 1.24×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1ccc(OC)cc1)cc2
(2)InChI: InChI=1/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
(3)InChIKey: RINYLKSNGRLNCU-UHFFFAOYAU

The toxicity data is as follows:

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

Product Name

4'-methoxy[1,1'-biphenyl]-4-carbonitrile

4'-Methoxybiphenyl-4-carbonitrile Specification

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