Benzonitrile, 4-methoxy-


Chemical Name: Benzonitrile, 4-methoxy-
CAS Number: 874-90-8
Product Number: AG003NWO(AGN-PC-0H0SKI)
Synonyms:
MDL No:
Molecular Formula: C8H7NO
Molecular Weight: 133.1473

Identification/Properties


Properties
MP:
57-59 °C(lit.)
BP:
256-257°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Refractive Index:
1.5402 (estimate)
Computed Properties
Molecular Weight:
133.15g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
133.053g/mol
Monoisotopic Mass:
133.053g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
139
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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