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2,6-Difluoroaniline

CAT: 0572-TRC-D445530-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D445530-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5509-65-9
Synonyms
2,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1c(F)cccc1F
Molecular Formula
C6H5F2N
Molecular Weight
129.11
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Difluoroaniline
CAS Number5509-65-9
PubChem CID79647
IUPAC Name2,6-difluoroaniline
Molecular FormulaC6H5F2N
Molecular Weight129.11
XLogP1.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)F)N)F
InChI
InChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
ODUZJBKKYBQIBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Difluoroaniline
CAS: 5509-65-9
CID: 79647
Formula: C6H5F2N
MW: 129.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.11
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass129.03900549
Monoisotopic Mass129.03900549
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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