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  • 2,6-Difluoroaniline
Name:2,6-Difluoroaniline
CAS No:5509-65-9

PRODUCT DESCRIPTION

【Name】
2,6-Difluoroaniline
【Iupac name】
2,6-difluoroaniline
【CAS Registry number】
5509-65-9
【Synonyms】
2,6-Difluorobenzenamine
Difluoroaniline
【EINECS(EC#)】
226-853-0
【Molecular Formula】
C6H5F2N (Products with the same molecular formula)
【Molecular Weight】
129.11
【Inchi】
InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
【Canonical SMILES】
C1=CC(=C(C(=C1)F)N)F
【MOL File】
5509-65-9.mol

Chemical and Physical Properties

【Appearance】
clear,colorless liquid
【Density】
1.199
【Melting Point】
144-148C
【Boiling Point】
51-52℃ (15 mmHg)
【Refractive Index】
n20/D 1.508(lit.)
【Flash Point】
43℃
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29214210
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:129.107406 [g/mol]
Molecular Formula:C6H5F2N
XLogP3-AA:1.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:129.039006
MonoIsotopic Mass:129.039006
Topological Polar Surface Area:26
Heavy Atom Count:9
Formal Charge:0
Complexity:87.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R10;R20/21/22;R36/37/38
【Safety Statements 】
S16;S23;S26;S36/37/39
【HazardClass】
3
【Hazard Note】

Irritant

【PackingGroup 】
III
【Transport】
UN 1993

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