3-Bromo-5-chlorobenzonitrile


Chemical Name: 3-Bromo-5-chlorobenzonitrile
CAS Number: 304854-55-5
Product Number: AG0030AX(AGN-PC-00QJA7)
Synonyms:
MDL No: MFCD06200840
Molecular Formula: C7H3BrClN
Molecular Weight: 216.4624

Identification/Properties


Properties
MP:
70.7-71.1°C
BP:
144 °C / 12mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
216.462g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
214.914g/mol
Monoisotopic Mass:
214.914g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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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