5-bromopyrimidine-2-carbonitrile


Chemical Name: 5-bromopyrimidine-2-carbonitrile
CAS Number: 38275-57-9
Product Number: AG003MKX(AGN-PC-0JUXQG)
Synonyms:
MDL No: MFCD02940446
Molecular Formula: C5H2BrN3
Molecular Weight: 183.9935

Identification/Properties


Properties
MP:
120 - 121 °C
BP:
317.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
183.996g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
182.943g/mol
Monoisotopic Mass:
182.943g/mol
Topological Polar Surface Area:
49.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
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:
Danger
UN#:
3077
Hazard Statements:
H302+H312+H332-H315-H318-H335-H410
Precautionary Statements:
P273-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338+P310
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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