Benzofuroxan

C6H4N2O2CAS 480-96-6136.11 g/mol

Open in Covalent MOL file
O−N+ON

Properties

Molecular formula
C6H4N2O2
Molar mass
136.11 g/mol
Exact mass
136.0273 Da
Density
1.44 g/mL
Melting point
70 °C
logP
0.46Crippen estimate
Polar surface area
53.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
480-96-6
SMILES
[O-][n+]1onc2ccccc21
InChIKey
OKEAMBAZBICIFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H

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Names and synonyms

9 names
  • 2,1,3-Benzoxadiazole, 1-oxide
  • Benzofurazan, 1-oxide
  • Benzofurazan oxide
  • Benzofuroxane
  • Benzofurazan N-oxide
  • KIH 403
  • NSC 19930
  • 2,1,3-Benzoxadiazol-1-ium-1-olate
  • 3-Oxido-2,1,3-benzoxadiazol-3-ium

Reactions

Work with Benzofuroxan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methylbenzofurazan-1-oxide19164-41-155 % similar 5-Carboxybenzofuroxan6086-24-447 % similar 2,1,3-Benzoxadiazole273-09-637 % similar Anthranil271-58-931 % similar Phenazine92-82-031 % similar Quinoline 1-oxide1613-37-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dinitrosobenzene105-12-4 Isoxazolo[5,4-B]pyridin-3-ol16880-54-9 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-5 Oxazolo[4,5-b]pyridin-2(3H)-one60832-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook