| Identification | |
| Name: | Cyclohexane,1-(bromomethyl)-4-propyl-, trans- |
| Synonyms: | trans-1-(Bromomethyl)-4-propylcyclohexane;trans-4-Propylcyclohexylmethyl bromide;1-(Bromomethyl)-4-propyl-trans- Cyclohexane; |
| CAS: | 71458-12-3 |
| Molecular Formula: | C10H19 Br |
| Molecular Weight: | 219.16 |
| InChI: | InChI=1/C10H19Br/c1-2-3-9-4-6-10(8-11)7-5-9/h9-10H,2-8H2,1H3/t9-,10- |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.125g/cm3 |
| Refractive index: | 1.467 |
| 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 . |
| Safety Data | |
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