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1,3-Diiodobenzene

CAT: 0572-TRC-D455710-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D455710-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
626-00-6
Synonyms
m-Diiodobenzene
Hazard Statement
No Data Available
Smiles
IC1=CC=CC(I)=C1
Molecular Formula
C6H4I2
Molecular Weight
329.9
InChI
InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
Additionnal Information
IUPAC name: 1,3-diiodobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzene, 1,3-diiodo-
CAS Number626-00-6
PubChem CID12270
IUPAC Name1,3-diiodobenzene
Molecular FormulaC6H4I2
Molecular Weight329.90
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
C1=CC(=CC(=C1)I)I
InChI
InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
SFPQFQUXAJOWNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1,3-diiodo-
CAS: 626-00-6
CID: 12270
Formula: C6H4I2
MW: 329.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.90
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass329.84025
Monoisotopic Mass329.84025
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2229731,3-Diiodobenzene
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PC10251822-Fluoro-1,3-diiodobenzene
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