Benzonitrile, 3,5-dinitro-


Chemical Name: Benzonitrile, 3,5-dinitro-
CAS Number: 4110-35-4
Product Number: AG0033JQ(AGN-PC-0JKF24)
Synonyms:
MDL No:
Molecular Formula: C7H3N3O4
Molecular Weight: 193.1164

Identification/Properties


Properties
MP:
126-130 °C(lit.)
BP:
302.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
193.118g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
193.012g/mol
Monoisotopic Mass:
193.012g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
274
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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