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Home Nitriles 3,4-Difluorobenzonitrile

3,4-Difluorobenzonitrile

CAS No.:
64248-62-0
Catalog Number:
AG003IGZ
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003IGZ
Chemical Name:
3,4-Difluorobenzonitrile
CAS Number:
64248-62-0
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
MDL Number:
MFCD00011666
IUPAC Name:
3,4-difluorobenzonitrile
InChI:
InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI Key:
BTBFCBQZFMQBNT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)F
EC Number:
264-751-8
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.105g/mol
Monoisotopic Mass:
139.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
3-Fluoro-4-(4-hy-droxy-phen-oxy)benzonitrile. Acta crystallographica. Section E, Structure reports online 20100701
3,3'-Difluoro-4,4'-(p-phenyl-enedi-oxy)dibenzonitrile. Acta crystallographica. Section E, Structure reports online 20091001
4-(4-Cyano-2-fluoro-phen-oxy)phenyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20090801
Mechanism of formation of iron(II) complexes with pentadentate ligands via C-C bond formation between trans-[Fe(2,4-bis(2-pyridylmethylimino)pentane)(MeCN)2]ClO4]2.MeCN and various nitriles. Dalton transactions (Cambridge, England : 2003) 20050321
Properties