Benzonitrile, 2-amino-3-bromo-


Chemical Name: Benzonitrile, 2-amino-3-bromo-
CAS Number: 114344-60-4
Product Number: AG000B58(AGN-PC-0LDC4O)
Synonyms:
MDL No: MFCD05670539
Molecular Formula: C7H5BrN2
Molecular Weight: 197.0320

Identification/Properties


Properties
MP:
119-120℃
BP:
289.5±25.0℃ (760 Torr)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
197.035g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
195.964g/mol
Monoisotopic Mass:
195.964g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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