[1,1'-Biphenyl]-4-carbonitrile,4'-dodecyl- supplier

Name
4-CYANO-4'-DODECYLBIPHENYL
EINECS 260-574-5
CAS No. 57125-49-2
Density 0.97g/cm³
Solubility
Melting Point 48°C(lit.)
Formula C₂₅H₃₃N
Boiling Point 484.4 °C at 760 mmHg
Molecular Weight 347.54
Flash Point 248.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 12CB;4-Cyano-4'-dodecyl-1,1'-biphenyl;4-Cyano-4'-dodecylbiphenyl;4-Dodecyl-4'-cyanobiphenyl;4'-Dodecyl-4-biphenylcarbonitrile;4'-Dodecyl-4-cyanobiphenyl;CB 12;CB 12 (liquid crystal);
PSA
LogP

[1,1'-Biphenyl]-4-carbonitrile,4'-dodecyl- Specification

The [1,1'-Biphenyl]-4-carbonitrile,4'-dodecyl-, with CAS registry number 57125-49-2, has the systematic name of 4'-dodecylbiphenyl-4-carbonitrile. Besides this, it is also called 4-Cyano-4'-dodecylbiphenyl. And the chemical formula of this chemical is C₂₅H₃₃N. What's more, its EINECS is 260-574-5.

Physical properties of [1,1'-Biphenyl]-4-carbonitrile,4'-dodecyl-: (1)ACD/LogP: 9.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.6; (4)ACD/LogD (pH 7.4): 9.6; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3972054.75; (8)ACD/KOC (pH 7.4): 3972054.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 111.59 cm³; (15)Molar Volume: 355 cm³; (16)Polarizability: 44.23×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 0.97 g/cm³; (19)Flash Point: 248.7 °C; (20)Enthalpy of Vaporization: 74.97 kJ/mol; (21)Boiling Point: 484.4 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1ccc(cc1)CCCCCCCCCCCC)cc2
(2)InChI: InChI=1/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3
(3)InChIKey: YTXPODSLSFRTBJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3
(5)Std. InChIKey: YTXPODSLSFRTBJ-UHFFFAOYSA-N

Product Name

4-CYANO-4'-DODECYLBIPHENYL

[1,1'-Biphenyl]-4-carbonitrile,4'-dodecyl- Specification

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