4,6-Dichloropyrimidine-2-carbonitrile


Chemical Name: 4,6-Dichloropyrimidine-2-carbonitrile
CAS Number: 1451391-83-5
Product Number: AG0035ZA(AGN-PC-0WAM0X)
Synonyms:
MDL No:
Molecular Formula: C5HCl2N3
Molecular Weight: 173.9875

Identification/Properties


Properties
BP:
327.6±45.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
173.984g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
172.955g/mol
Monoisotopic Mass:
172.955g/mol
Topological Polar Surface Area:
49.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
154
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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