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Iodobenzene

Catalog Number
ACM591504
CAS Number
591-50-4
Product Name
Iodobenzene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
Benzene iodide
IUPAC Name
iodobenzene
Molecular Weight
204.01
Molecular Formula
C6H5I
Canonical SMILES
C1=CC=C(C=C1)I
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChI Key
SNHMUERNLJLMHN-UHFFFAOYSA-N
Boiling Point
188 ºC
Melting Point
-29 ºC
Flash Point
77 °C (171 °F) - closed cup
Purity
99%+
Density
1.823 g/ml
Solubility
0.00 M;Soluble in ethanol; slightly soluble in ether, DMSO;Miscible with acetone, benzene, carbon tetrachloride, and ligroin;In water, 340 mg/L at 30 °C
Appearance
colorless and transparent liquid
Color/Form
Liquid
Complexity
46.1
Covalently-Bonded Unit Count
1
EC Number
209-719-6
Exact Mass
203.9436g/mol
Formal Charge
0
Hazard Statements
H302
Heavy Atom Count
7
Log P
3.25 (LogP);log Kow = 3.25
MeSH Entry Terms
iodobenzene;iodobenzene, 123I-labeled;iodobenzene, 125I-labeled;iodobenzene, 14C-labeled
Monoisotopic Mass
203.9436g/mol
NSC Number
9244
Other Experimental
Specific gravity: 1.86 at 0 °C/4 °C;Explodes when heated above 200 °C. When heated it emits very toxic fumes of I(-);Henry's Law constant = 8.37X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.10X10-12 cu cm/molec-sec at 25 °C
Refractive Index
Index of refraction = 1.6200 at 20 °C/D
Rotatable Bond Count
0
UNII
9HK5L7YBBR
Vapor Pressure
1.06 mmHg;1.06 mm Hg at 25 °C (extrapolated)
XLogP3
3.2
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