CAS
424826-75-5 Purity
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424826-75-5 Purity
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3,4-Dinitrobenzonitrile
CAS
4248-33-3
Catalog Number
ACM4248333
Category
Other Products
Molecular Weight
193.12
Molecular Formula
C7H3N3O4
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Specification
Synonyms
3,4-Dinitrobenzonitrile, ZERO/001842, MolPort-002-720-712, CID533870, ZINC04342477, D123, 4248-33-3, InChI=1/C7H3N3O4/c8-4-5-1-2-6(9(11)12)7(3-5)10(13)14/h1-3
IUPAC Name
3,4-dinitrobenzonitrile
Canonical SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-]
InChI Key
QXFXDEHCVXHEBX-UHFFFAOYSA-N
Boiling Point
391.7ºC at 760 mmHg
Melting Point
90-91ºC
Flash Point
190.7ºC
Density
1.55g/cm³
Exact Mass
193.01200
H-Bond Acceptor
5
H-Bond Donor
0
Packing Group
III
Safety Description
26-36/37/39
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