2-Benzofurancarbonitrile, 3-amino-


Chemical Name: 2-Benzofurancarbonitrile, 3-amino-
CAS Number: 62208-67-7
Product Number: AG00EEDY(AGN-PC-0KC9Y4)
Synonyms:
MDL No: MFCD06334923
Molecular Formula: C9H6N2O
Molecular Weight: 158.1567

Identification/Properties


Properties
MP:
149℃(Solv: ligroine (8032-32-4))
BP:
347.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
158.16g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
158.048g/mol
Monoisotopic Mass:
158.048g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
220
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-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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