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2-Iodobenzotrifluoride

CAT: 0572-TRC-I685630-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I685630-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
444-29-1
Synonyms
1-Iodo-2-(trifluoromethyl)benzene; 1-Trifluoromethyl-2-iodobenzene; 2-(Trifluoromethyl)iodobenzene; 2-Iodo-1-trifluoromethylbenzene;2-Iodobenzotrifluoride; 2-Trifluoromethylphenyl IodideNSC 88291; o-(Trifluoromethyl)iodobenzene; alpha,alpha,alpha-Trifluoro-o-iodotoluene
Hazard Statement
No Data Available
Smiles
FC(F)(F)c1ccccc1I
Molecular Formula
C7H4F3I
Molecular Weight
272.01
Shipping Conditions
Room Temperature

Chemical Information

Benzene, 1-iodo-2-(trifluoromethyl)-
CAS Number444-29-1
PubChem CID67957
IUPAC Name1-iodo-2-(trifluoromethyl)benzene
Molecular FormulaC7H4F3I
Molecular Weight272.01
XLogP3.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
C1=CC=C(C(=C1)C(F)(F)F)I
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey
IGZGUYVVBABKOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1-iodo-2-(trifluoromethyl)-
CAS: 444-29-1
CID: 67957
Formula: C7H4F3I
MW: 272.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.01
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass271.93098
Monoisotopic Mass271.93098
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
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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CatalogName
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sc-318757A5-Fluoro-2-iodobenzotrifluoride
sc-2837043-Chloro-2-iodobenzotrifluoride
PC500392-014-Bromo-2-iodobenzotrifluoride
PC500388-012-Bromo-4-iodobenzotrifluoride
PC5022913-Amino-2-iodobenzotrifluoride
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