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CAS No.: | 175278-38-3 |
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Name: | 4-BUTYL-1-IODO-2-METHYLBENZENE |
Molecular Structure: | |
Formula: | C11H15I |
Molecular Weight: | 274.14 |
Synonyms: | 4-butyl-1-iodo-2-methylbenzene;benzene, 4-butyl-1-iodo-2-methyl-; |
Density: | 1.415 g/cm3 |
Boiling Point: | 266.6 °C at 760 mmHg |
Flash Point: | 118.2 °C |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 3.94220 |
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The Benzene,4-butyl-1-iodo-2-methyl-, with the CAS registry number 175278-38-3, has the systematic name of 4-butyl-1-iodo-2-methylbenzene. It belongs to the following product categories: Halides; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C11H15I. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Benzene,4-butyl-1-iodo-2-methyl- are as followings: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 62.79 cm3; (9)Molar Volume: 193.6 cm3; (10)Polarizability: 24.89×10-24cm3; (11)Surface Tension: 36.7 dyne/cm; (12)Density: 1.415 g/cm3; (13)Flash Point: 118.2 °C; (14)Enthalpy of Vaporization: 48.42 kJ/mol; (15)Boiling Point: 266.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0141 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc(cc1C)CCCC
(2)InChI: InChI=1/C11H15I/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5H2,1-2H3
(3)InChIKey: FQXNRBVROUKCMV-UHFFFAOYAD