CAS No.71458-12-3,Trans-1-(bromomethyl)-4-propylcyclohexane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71458-12-3
Name:	Trans-1-(bromomethyl)-4-propylcyclohexane
Article Data:	5

Formula:	C₁₀H₁₉ Br
Molecular Weight:	219.16
Synonyms:	trans-1-(Bromomethyl)-4-propylcyclohexane;trans-4-Propylcyclohexylmethyl bromide;1-(Bromomethyl)-4-propyl-trans- Cyclohexane;
Density:	1.125g/cm³
Boiling Point:	232.383 °C at 760 mmHg
Flash Point:	88.37 °C
PSA:	0.00000
LogP:	3.98780

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Specification

The trans-1-(Bromomethyl)-4-propylcyclohexane with cas registry number of 71458-12-3, is also called 1-(Bromomethyl)-4-propyl-trans- Cyclohexane ; trans-4-Propylcyclohexylmethyl bromide .

Physical properties of trans-1-(Bromomethyl)-4-propylcyclohexane : (1)ACD/LogP: 5.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 6213; (6)ACD/BCF (pH 7.4): 6213; (7)ACD/KOC (pH 5.5): 18064; (8)ACD/KOC (pH 7.4): 18064; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 54.056 cm³; (15)Molar Volume: 194.779 cm³; (16)Polarizability: 21.429×10^-24cm³; (17)Surface Tension: 31.275 dyne/cm; (18)Enthalpy of Vaporization: 45.002 kJ/mol; (19)Vapour Pressure: 0.09 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:BrCC1CCC(CCC)CC1; (2)InChI:InChI=1/C10H19Br/c1-2-3-9-4-6-10(8-11)7-5-9/h9-10H,2-8H2,1H3; (3)InChIKey:FNUWTRXUMODLEK-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C10H19Br/c1-2-3-9-4-6-10(8-11)7-5-9/h9-10H,2-8H2,1H3; (5)Std. InChIKey:FNUWTRXUMODLEK-UHFFFAOYSA-N .