CAS 591-50-4 Iodobenzene - Materials / Alfa Chemistry

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Organic Light-Emitting Diode (OLED) Materials

Iodobenzene

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Catalog Number

ACM591504

Product Name

Iodobenzene

Structure

CAS

591-50-4

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

EC Number

209-719-6

Exact Mass

203.9436g/mol

Formal Charge

Hazard Statements

H302

Heavy Atom Count

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

UNII

9HK5L7YBBR

Vapor Pressure

1.06 mmHg;1.06 mm Hg at 25 °C (extrapolated)

XLogP3

3.2

MSDS

Download MSDS

COA