CAS No.126261-84-5,1-Iodo-4-N-propylbenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126261-84-5
Name:	1-Iodo-4-N-propylbenzene
Article Data:	2

Formula:	C₉H₁₁I
Molecular Weight:	246.091
Synonyms:	1-Iodo-4-propylbenzene;1-Propyl-4-iodobenzene;4-Propyl-1-iodobenzene;4-Propyliodobenzene;1-iodo-4-propylbenzene;
Density:	1.53 g/cm³
Boiling Point:	229.4 °C at 760 mmHg
Flash Point:	99.1 °C
Safety:	24/25
PSA:	0.00000
LogP:	3.24370

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Specification

The Benzene,1-iodo-4-propyl-, with the CAS registry number 126261-84-5, has the systematic name of 1-iodo-4-propylbenzene. It is a kind of air sensitive chemical, and the molecular formula of the chemical is C₉H₁₁I. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Benzene,1-iodo-4-propyl- are as followings: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.77; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 2496.37; (6)ACD/BCF (pH 7.4): 2496.37; (7)ACD/KOC (pH 5.5): 9405.68; (8)ACD/KOC (pH 7.4): 9405.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 53.34 cm³; (15)Molar Volume: 160.8 cm³; (16)Polarizability: 21.14×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 44.7 kJ/mol; (21)Boiling Point: 229.4 °C at 760 mmHg; (22)Vapour Pressure: 0.105 mmHg at 25°C.

Uses of Benzene,1-iodo-4-propyl-: It can react with 3,4,5-trimethoxyethynylbenzene to produce 1-(4-propylphenyl)-2-(3,4,5-trimethoxyphenyl)ethyne. This reaction will need reagent Pd(Ph₃P)₄ and n-PrNH₂. The reaction time is 10 hours with heating, and the yield is about 74%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc(cc1)CCC
(2)InChI: InChI=1/C9H11I/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
(3)InChIKey: ZRWCHMFGMKNWEC-UHFFFAOYAM