Benzonitrile, 3-formyl-


Chemical Name: Benzonitrile, 3-formyl-
CAS Number: 24964-64-5
Product Number: AG002Q0Y(AGN-PC-0JLYSN)
Synonyms:
MDL No: MFCD00003344
Molecular Formula: C8H5NO
Molecular Weight: 131.1314

Identification/Properties


Properties
MP:
75-78 °C(lit.)
BP:
210.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.4700 (estimate)
Computed Properties
Molecular Weight:
131.134g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
131.037g/mol
Monoisotopic Mass:
131.037g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
167
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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