CAS No.121219-17-8,2,3-Difluoro-4'-pentyl-1,1'-biphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121219-17-8
Name:	2,3-Difluoro-4'-pentyl-1,1'-biphenyl
Article Data:	5

Formula:	C₁₇H₁₈F₂
Molecular Weight:	260.327
Synonyms:	2,3-Difluoro-4'-pentylbiphenyl;2,3-Difluoro-4'-pentyl-1,1'-biphenyl;
Density:	1.06 g/cm³
Boiling Point:	334.358 °C at 760 mmHg
Flash Point:	130.838 °C
PSA:	0.00000
LogP:	5.36450

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Specification

The systematic name of 2,3-Difluoro-4'-pentylbiphenyl is 2,3-Difluoro-4'-pentylbiphenyl. With the CAS registry number 121219-17-8, it is also named as 2,3-Difluoro-4'-pentyl-1,1'-biphenyl. In addition, its molecular formula is C₁₇H₁₈F₂ and its molecular weight is 260.32.

The other characteristics of 2,3-Difluoro-4'-pentylbiphenyl can be summarized as: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 183850; (6)ACD/BCF (pH 7.4): 183850; (7)ACD/KOC (pH 5.5): 204117; (8)ACD/KOC (pH 7.4): 204117; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 74.28 cm³; (14)Molar Volume: 245.475 cm³; (15)Polarizability: 29.447×10^-24cm³; (16)Surface Tension: 33.56 dyne/cm; (17)Density: 1.06 g/cm³; (18)Flash Point: 130.838 °C; (19)Enthalpy of Vaporization: 55.442 kJ/mol; (20)Boiling Point: 334.358 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc2c(c1ccc(cc1)CCCCC)cccc2F
(2)InChI:InChI=1/C17H18F2/c1-2-3-4-6-13-9-11-14(12-10-13)15-7-5-8-16(18)17(15)19/h5,7-12H,2-4,6H2,1H3
(3)InChIKey:PANPSUSDKWILEG-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C17H18F2/c1-2-3-4-6-13-9-11-14(12-10-13)15-7-5-8-16(18)17(15)19/h5,7-12H,2-4,6H2,1H3
(5)Std. InChIKey:PANPSUSDKWILEG-UHFFFAOYSA-N