CAS No.485828-58-8,1-(4-Bromophenyl)cyclobutanecarbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	485828-58-8
Name:	1-(4-Bromophenyl)cyclobutanecarbonitrile
Article Data:	17

Formula:	C₁₁H₁₀BrN
Molecular Weight:	236.111
Synonyms:	MolPort-003-839-698;ZINC09189801;Cyclobutanecarbonitrile, 1-(4-bromophenyl)-;
Density:	1.469 g/cm³
Boiling Point:	336.236 °C at 760 mmHg
Flash Point:	157.15 °C
PSA:	23.79000
LogP:	3.39438

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Specification

1-(4-Bromophenyl)cyclobutanecarbonitrile is an organic compound with the formula C₁₁H₁₀BrN, and its systematic name is the same with the product name. With the CAS registry number 485828-58-8, it is also named as Cyclobutanecarbonitrile, 1-(4-bromophenyl)-. In addition, the molecular weight is 236.11.

Physical properties of 1-(4-Bromophenyl)cyclobutanecarbonitrile are: (1)ACD/LogP: 2.872; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.71; (6)ACD/BCF (pH 7.4): 89.71; (7)ACD/KOC (pH 5.5): 869.89; (8)ACD/KOC (pH 7.4): 869.89; (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: 1.607; (14)Molar Refractivity: 55.532 cm³; (15)Molar Volume: 160.741 cm³; (16)Polarizability: 22.015×10^-24cm³; (17)Surface Tension: 51.77 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 157.15 °C; (20)Enthalpy of Vaporization: 57.937 kJ/mol; (21)Boiling Point: 336.236 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C2(CCC2)C#N)Br
(2)Std. InChI: InChI=1S/C11H10BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
(3)Std. InChIKey: DZWFVACFASLQKS-UHFFFAOYSA-N