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Alpha,Alpha,Alpha-Trifluorotoluene

CAT: 0572-TRC-T793525-250MLSize: 250 mLDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T793525-250MLSize:250 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-08-8
Synonyms
Trifluoromethylbenzene
Hazard Statement
No Data Available; UN number: UN2338; Packing Group: II
Smiles
FC(F)(F)c1ccccc1
Molecular Formula
C7 H5 F3
Molecular Weight
146.11
InChI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
Additionnal Information
IUPAC name: trifluoromethylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

(Trifluoromethyl)benzene

(trifluoromethyl)benzene is a fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. It has a role as a solvent and an environmental contaminant. It is a fluorohydrocarbon and a member of (trifluoromethyl)benzenes. It is functionally related to a fluoroform.

CAS Number98-08-8
PubChem CID7368
IUPAC Nametrifluoromethylbenzene
Molecular FormulaC7H5F3
Molecular Weight146.11
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
GETTZEONDQJALK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Trifluoromethyl)benzene
CAS: 98-08-8
CID: 7368
Formula: C7H5F3
MW: 146.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.11
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass146.03433465
Monoisotopic Mass146.03433465
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.9
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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