4-(4-trans-Propylcyclohexyl)iodobenzene supplier

Name
1-IODO-4-(TRANS-4-N-PROPYLCYCLOHEXYL)BENZENE
EINECS
CAS No. 111158-11-3
Article Data2
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁I
Boiling Point 348.501 °C at 760 mmHg
Molecular Weight 328.236
Flash Point 157.979 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-iodo-4-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-1-iodobenzene;4-Iodo-1-(trans-4-propylcyclohexyl)benzene;1-(trans-4-Propylcyclohexyl)-4-iodobenzene;
PSA 0.00000
LogP 5.36510

4-(4-trans-Propylcyclohexyl)iodobenzene Specification

The Benzene,1-iodo-4-(trans-4-propylcyclohexyl)-, with the CAS registry number 111158-11-3, is also known as 4-Iodo-1-(trans-4-propylcyclohexyl)benzene. This chemical's molecular formula is C₁₅H₂₁I and molecular weight is 328.23. What's more, its systematic name is 1-iodo-4-(4-propylcyclohexyl)benzene.

Physical properties of Benzene,1-iodo-4-(trans-4-propylcyclohexyl)- are: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.478; (4)ACD/BCF (pH 5.5): 283768.594; (5)ACD/KOC (pH 5.5): 278487.75; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 78.981 cm³; (9)Molar Volume: 246.789 cm³; (10)Surface Tension: 38.1 dyne/cm; (11)Density: 1.33 g/cm³; (12)Flash Point: 157.979 °C; (13)Enthalpy of Vaporization: 56.947 kJ/mol; (14)Boiling Point: 348.501 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)I
(2)InChI: InChI=1S/C15H21I/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13H,2-7H2,1H3/t12-,13-
(3)InChIKey: QBYHVVBZXPJPKK-JOCQHMNTSA-N

Product Name

1-IODO-4-(TRANS-4-N-PROPYLCYCLOHEXYL)BENZENE

4-(4-trans-Propylcyclohexyl)iodobenzene Specification

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