CAS No.189828-30-6,2'-Methyl-[1,1'-Biphenyl]-4-Carbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	189828-30-6
Name:	2'-Methyl-[1,1'-Biphenyl]-4-Carbonitrile
Article Data:	58

Formula:	C₁₄H₁₁N
Molecular Weight:	193.24
Synonyms:	2'-Methylbiphenyl-4-carbonitrile;2'-Methyl-[1,1'-Biphenyl]-4-Carbonitrile;
Density:	1.09 g/cm³
Melting Point:	54-56℃ (hexane ethyl acetate )
Boiling Point:	327 °C at 760 mmHg
Flash Point:	152.2 °C
PSA:	23.79000
LogP:	3.53368

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Specification

This chemical is called [1,1'-Biphenyl]-4-carbonitrile,2'-methyl-, and it can also be named as 2'-Methyl-[1,1'-Biphenyl]-4-Carbonitrile. The molecular formula of this chemical is C₁₄H₁₁N. The CAS registry number of this chemical is 189828-30-6, and its systematic name is 2'-Methylbiphenyl-4-carbonitrile.

Other characteristics of the [1,1'-Biphenyl]-4-carbonitrile,2'-methyl- can be summarised as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 420.12; (6)ACD/BCF (pH 7.4): 420.12; (7)ACD/KOC (pH 5.5): 2626.74; (8)ACD/KOC (pH 7.4): 2626.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 60.64 cm³; (15)Molar Volume: 176.2 cm³; (16)Polarizability: 24.04×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 152.2 °C; (20)Enthalpy of Vaporization: 56.92 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 0.000208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(cc1)c2ccccc2C
2.InChI: InChI=1/C14H11N/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-9H,1H3
3.InChIKey: NTJHRYFSZWZHPG-UHFFFAOYAT