Iodobenzene

• Catalog Number: ACM591504
• Product Name: Iodobenzene
• CAS: 591-50-4
• Category: Aryl
• 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
• 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
• Decomposition: Upon decomposition it emits toxic fumes of /iodine/.
• EC Number: 209-719-6
• Exact Mass: 203.9436g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 7
• LogP: 3.25 (LogP);log Kow = 3.25
• 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
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Symbol: GHS07
• UNII: 9HK5L7YBBR
• Vapor Pressure: 1.06 mmHg;1.06 mm Hg at 25 °C (extrapolated)
• XLogP3: 3.2