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3,4,5-Trifluoroaniline

CAT: 1266-JH641986Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH641986Size:1 Each
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CAS Number
163733-96-8
UN Code
UN2941
Hazard Statement
Xn
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Molecular Formula
C6H4F3N
Molecular Weight
147.0979
Product Name Synonym
3,4,5-Trifluoroanili
Physical Properties
Colorless To Light Yellow Liquid
Hazardous Class
6.1
Safety Statements
S26-S36/37/39
Density
1.409 g/cm3
Flash Point
82.4oC
RIDADR
UN2941
Melting Point
58-62oC

Chemical Information

3,4,5-Trifluoroaniline
CAS Number163733-96-8
PubChem CID2724991
IUPAC Name3,4,5-trifluoroaniline
Molecular FormulaC6H4F3N
Molecular Weight147.10
XLogP1.6
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C1=C(C=C(C(=C1F)F)F)N
InChI
InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey
SZRDJHHKIJHJHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trifluoroaniline
CAS: 163733-96-8
CID: 2724991
Formula: C6H4F3N
MW: 147.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.10
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass147.02958362
Monoisotopic Mass147.02958362
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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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PC7784-013-Methoxy-2,4,5-trifluoroaniline
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PC1003182-014-Bromo-2,3,5-trifluoroaniline
sc-321576A2-Bromo-3,4,5-trifluoroaniline
PC51051-012-Nitro-3,4,5-trifluoroaniline
PC50478-013-Bromo-2,4,5-trifluoroaniline
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