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trans-1-(Bromomethyl)-4-propylcyclohexane

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Name

trans-1-(Bromomethyl)-4-propylcyclohexane

EINECS N/A
CAS No. 71458-12-3 Density 1.125g/cm3
PSA 0.00000 LogP 3.98780
Solubility N/A Melting Point N/A
Formula C10H19 Br Boiling Point 232.383 °C at 760 mmHg
Molecular Weight 219.16 Flash Point 88.37 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71458-12-3 (Trans-1-(bromomethyl)-4-propylcyclohexane) Hazard Symbols N/A
Synonyms

trans-1-(Bromomethyl)-4-propylcyclohexane;trans-4-Propylcyclohexylmethyl bromide;1-(Bromomethyl)-4-propyl-trans- Cyclohexane;

Article Data 5

trans-1-(Bromomethyl)-4-propylcyclohexane 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 .

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