1-Iodo-4-(trans-4-n-pentylcyclohexyl)benzene supplier

Name
1-IODO-4-(TRANS-4-N-PENTYLCYCLOHEXYL)BENZENE
EINECS
CAS No. 116963-80-5
Density 1.273 g/cm³
Solubility
Melting Point 47 °C(Solv: acetone (67-64-1); ethanol (64-17-5))
Formula C₁₇H₂₅I
Boiling Point 378.457 °C at 760 mmHg
Molecular Weight 356.28
Flash Point 171.879 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-iodo-4-(4-pentylcyclohexyl)-, trans-;1-Iodo-4-(trans-4-pentylcyclohexyl)benzene;4-Iodo-1-(trans-4-pentylcyclohexyl)benzene;
PSA 0.00000
LogP 6.14530

1-Iodo-4-(trans-4-n-pentylcyclohexyl)benzene Specification

The Benzene,1-iodo-4-(trans-4-pentylcyclohexyl)-, with its CAS registry number 116963-80-5, has the systematic name of 1-iodo-4-(4-pentylcyclohexyl)benzene. It has the molecular foumula of C₁₇H₂₅I.

The characteristics of Benzene,1-iodo-4-(trans-4-pentylcyclohexyl)- are as follows: (1)ACD/LogP: 8.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.497; (4)ACD/LogD (pH 7.4): 8.497; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 0 Å²; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 88.247 cm³; (11)Molar Volume: 279.803 cm³; (12)Polarizability: 34.984×10^-24cm³; (13)Surface Tension: 37.566 dyne/cm; (14)Density: 1.273 g/cm³; (15)Flash Point: 171.879 °C; (16)Enthalpy of Vaporization: 60.18 kJ/mol; (17)Boiling Point: 378.457 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:CCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)I
(2)InChI:InChI=1/C17H25I/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3/t14-,15-
(3)InChIKey:ZVJXAYCOQJDVMP-SHTZXODSBV

Product Name

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

1-Iodo-4-(trans-4-n-pentylcyclohexyl)benzene Specification

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