CAS No.60439-16-9,(4-BROMO-BUTYL)-CYCLOHEXANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60439-16-9
Name:	(4-BROMO-BUTYL)-CYCLOHEXANE
Article Data:	10

Formula:	C₁₀H₁₉Br
Molecular Weight:	219.165
Synonyms:	(4-Bromobutyl)cyclohexane;1-Bromo-4-cyclohexylbutane;
Density:	1.152 g/cm³
Boiling Point:	244.1 °C at 760 mmHg
Flash Point:	98.7 °C
PSA:	0.00000
LogP:	4.13190

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Specification

The Cyclohexane,(4-bromobutyl)- is an organic compound with the formula C₁₀H₁₉Br. With the CAS registry number 60439-16-9, the systematic name of this chemical is (4-bromobutyl)cyclohexane.

Physical properties about Cyclohexane,(4-bromobutyl)- are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6654.61; (6)ACD/BCF (pH 7.4): 6654.61; (7)ACD/KOC (pH 5.5): 18975.03; (8)ACD/KOC (pH 7.4): 18975.03; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 53.99 cm³; (12)Molar Volume: 190.2 cm³; (13)Polarizability: 21.4×10^-24cm³; (14)Surface Tension: 33 dyne/cm; (15)Density: 1.152 g/cm³; (16)Flash Point: 98.7 °C; (17)Enthalpy of Vaporization: 46.17 kJ/mol; (18)Boiling Point: 244.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0482 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCC1CCCCC1
(2)InChI: InChI=1/C10H19Br/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2
(3)InChIKey: FZFWXUKZEJDCMB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H19Br/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2
(5)Std. InChIKey: FZFWXUKZEJDCMB-UHFFFAOYSA-N