Benzeneacetonitrile, 3-fluoro-


Chemical Name: Benzeneacetonitrile, 3-fluoro-
CAS Number: 501-00-8
Product Number: AG003JHM(AGN-PC-0JL8A7)
Synonyms:
MDL No:
Molecular Formula: C8H6FN
Molecular Weight: 135.1383

Identification/Properties


Properties
BP:
127 - 128 °C at 28 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
135.141g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
135.048g/mol
Monoisotopic Mass:
135.048g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
147
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
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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