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  • 2,6-Difluorobenzonitrile
Name:2,6-Difluorobenzonitrile
CAS No:1897-52-5

PRODUCT DESCRIPTION

【Name】
2,6-Difluorobenzonitrile
【Iupac name】
2,6-difluorobenzonitrile
【CAS Registry number】
1897-52-5
【Synonyms】
2,6-Difluorobenzonitril
2,6-Difluorobenzonitrole
【EINECS(EC#)】
217-589-7
【Molecular Formula】
C7H3F2N (Products with the same molecular formula)
【Molecular Weight】
139.1
【Inchi】
InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
【InChIKey】
BNBRIFIJRKJGEI-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C(=C1)F)C#N)F
【MOL File】
1897-52-5.mol

Chemical and Physical Properties

【Appearance】
White powder
【Density】
1.24
【Melting Point】
30-32℃
【Boiling Point】
197-198℃
【Vapour】
1.23mmHg at 25°C
【Refractive Index】
1.4875
【Flash Point】
80℃
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29269095
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:139.102226 [g/mol]
Molecular Formula:C7H3F2N
XLogP3-AA:1.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:139.023356
MonoIsotopic Mass:139.023356
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Formal Charge:0
Complexity:150
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 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】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
6.1
【Hazard Note】

Toxic

【Safety】

Hazard Codes:?HarmfulXn,ToxicT,IrritantXi 
Risk Statements: 20/21/22-36/37/38
?R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
RIDADR: 3439 
WGK Germany: 3
Hazard Note: Toxic 
HazardClass: 6.1 
PackingGroup of 2,6-Difluorobenzonitrile (CAS NO.1897-52-5): III

【PackingGroup 】
III
【Transport】
UN 1325
【Specification】

 2,6-Difluorobenzonitrile (CAS NO.1897-52-5), its Synonyms are Benzonitrile, 2,6-difluoro- ; 2,6-Difluoro-benzonitril ; 2,6-Difluorobenzonitrile 99% . It is white to light yellow crystal powder.

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