Benzonitrile, 4-amino-


Chemical Name: Benzonitrile, 4-amino-
CAS Number: 873-74-5
Product Number: AG00340L(AGN-PC-0BYTYT)
Synonyms:
MDL No:
Molecular Formula: C7H6N2
Molecular Weight: 118.1359

Identification/Properties


Properties
MP:
83-85 °C(lit.)
BP:
286.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
118.139g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
118.053g/mol
Monoisotopic Mass:
118.053g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
125
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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