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Benzene,1-iodo-4-pentyl-

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Name

Benzene,1-iodo-4-pentyl-

EINECS N/A
CAS No. 85017-60-3 Density 1.414 g/cm3
PSA 0.00000 LogP 4.02390
Solubility N/A Melting Point N/A
Formula C11H15I Boiling Point 266.8 °C at 760 mmHg
Molecular Weight 274.145 Flash Point 118.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85017-60-3 (4-IODOPENTYLBENZENE) Hazard Symbols N/A
Synonyms

1-Iodo-4-n-pentylbenzene;1-Iodo-4-pentylbenzene;4-Iodopentylbenzene;4-Pentyliodobenzene;

Article Data 4

Benzene,1-iodo-4-pentyl- Specification

The Benzene,1-iodo-4-pentyl-, with CAS registry number 85017-60-3, has the systematic name of 1-iodo-4-pentylbenzene. Besides this, it is also called 4-Iodopentylbenzene. And the chemical formula of this chemical is C11H15I.

Physical properties of Benzene,1-iodo-4-pentyl-: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16031.04; (6)ACD/BCF (pH 7.4): 16031.04; (7)ACD/KOC (pH 5.5): 35604.01; (8)ACD/KOC (pH 7.4): 35604.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 62.6 cm3; (15)Molar Volume: 193.8 cm3; (16)Polarizability: 24.81×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.414 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.45 kJ/mol; (21)Boiling Point: 266.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-pentyl-aniline. The yield is about 78%.

Benzene,1-iodo-4-pentyl- can be prepared by 4-pentyl-aniline

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-iodo-4-pentyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CCCCC
(2)InChI: InChI=1/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(3)InChIKey: MTRMOYSZRPLAOL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(5)Std. InChIKey: MTRMOYSZRPLAOL-UHFFFAOYSA-N

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