I7608
4-Iodoanisole
98%
Synonym(s):
4-Iodophenyl methyl ether, 4-Methoxyiodobenzene
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All Photos(3)
About This Item
Linear Formula:
IC6H4OCH3
CAS Number:
Molecular Weight:
234.03
Beilstein:
1906692
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
bp
237 °C/726 mmHg (lit.)
mp
50-53 °C (lit.)
SMILES string
COc1ccc(I)cc1
InChI
1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI key
SYSZENVIJHPFNL-UHFFFAOYSA-N
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Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
233.6 °F - closed cup
Flash Point(C)
112 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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P N Rizk et al.
Xenobiotica; the fate of foreign compounds in biological systems, 25(2), 143-150 (1995-02-01)
1. The oxidative metabolism of 4-iodoanisole (1) by liver microsomes from beta-naphthoflavone-treated rats yields 4-iodophenol (2) 2-iodo-5-methoxyphenol (3), 2-methoxy-5-iodophenol (4), 4-methoxyphenol (5), and 3-methoxyphenol (6) in relative yields of 5:2:4:1:1 respectively. 2. [3 5-2H2]-1 was converted to the same five
Vibrational spectra, DFT quantum chemical calculations and conformational analysis of P-iodoanisole.
M Arivazhagan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 113, 236-249 (2013-06-04)
The solid phase FT-IR and FT-Raman spectra of P-iodoanisole (P-IA) have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule was
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