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  • 2,6-Difluorobenzamide
Name:2,6-Difluorobenzamide
CAS No:18063-03-1

PRODUCT DESCRIPTION

【Name】
2,6-Difluorobenzamide
【Iupac name】
2,6-difluorobenzamide
【CAS Registry number】
18063-03-1
【Synonyms】
2,6-Difluorobenzamide
【EINECS(EC#)】
241-972-8
【Molecular Formula】
C7H5F2NO (Products with the same molecular formula)
【Molecular Weight】
157.12
【Inchi】
InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
【InChIKey】
AVRQBXVUUXHRMY-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C(=C1)F)C(=O)N)F
【MOL File】
18063-03-1.mol

Chemical and Physical Properties

【Appearance】
white to off-white powder
【Density】
1.348 g/cm3
【Melting Point】
144-148℃
【Boiling Point】
187.7 oC at 760 mmHg
【Vapour】
0.622mmHg at 25°C
【Refractive Index】
1,508
【Flash Point】
67.3 oC
【Water】
SOLVENT
【Solubilities】
SOLVENT
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:157.117506 [g/mol]
Molecular Formula:C7H5F2NO
XLogP3:0.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:157.03392
MonoIsotopic Mass:157.03392
Topological Polar Surface Area:43.1
Heavy Atom Count:11
Formal Charge:0
Complexity:153
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 Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20;R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Transport】
25kgs

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