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2-iodocyclohex-2-enone

CAT: 1266-JH263676Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH263676Size:1 Each
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CAS Number
33948-36-6
UN Code
UN 3261
Hazard Statement
C
Stability
Stable under normal shipping and handling conditions.
Molecular Formula
C6H7IO
Molecular Weight
222.02
Product Name Synonym
2-BENZYLSULFANYL-4,5-DIHYDRO-THIAZOLE
Physical Properties
White to yellowish powder
Hazardous Class
8
Safety Statements
S26; S36/37/39; S45
Density
1.282g/cm3
Flash Point
194.2oC
RIDADR
UN 3261
Melting Point
121-124oC

Chemical Information

2-Iodo-2-cyclohexen-1-one

structure in first source

CAS Number33948-36-6
PubChem CID11106935
IUPAC Name2-iodocyclohex-2-en-1-one
Molecular FormulaC6H7IO
Molecular Weight222.02
XLogP1.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity137
SMILES
C1CC=C(C(=O)C1)I
InChI
InChI=1S/C6H7IO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
InChIKey
IPFSJCDRYRZTJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-2-cyclohexen-1-one
CAS: 33948-36-6
CID: 11106935
Formula: C6H7IO
MW: 222.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.02
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass221.95416
Monoisotopic Mass221.95416
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity137
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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Alternative Products

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sc-2657442-Iodocyclohex-2-enone
IBA94835-012-Iodocyclopent-2-enone
FH1437922-Hydroxycyclopent-2-enone
RG-M050862-012-Methylcyclopent-2-Enone
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OR1037695-012-Ethoxycyclohex-2-enone
OR1087850-012-methoxycyclopent-2-enone
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