1,4-Dinitrosobenzene

C6H4N2O2CAS 105-12-4136.11 g/mol

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Properties

Molecular formula
C6H4N2O2
Molar mass
136.11 g/mol
Exact mass
136.0273 Da
Melting point
178–180 °C (decomposes)
logP
2.48Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
105-12-4
SMILES
O=Nc1ccc(N=O)cc1
InChIKey
MKZXROSCOHNKDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzene, 1,4-dinitroso-
  • Benzene, p-dinitroso-
  • p-Dinitrosobenzene
  • RD 3435-49
  • Actor DB
  • NSC 4771

Work with 1,4-Dinitrosobenzene

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

Nitrosobenzene586-96-969 % similar 4-Nitrosophenol104-91-667 % similar N,N-Dimethyl-4-nitrosoaniline138-89-657 % similar 4-Nitrosodiphenylamine156-10-555 % similar N,N-Diethyl-4-nitrosoaniline120-22-950 % similar 2-Methyl-4-nitrosophenol6971-38-642 % similar 2,6-Dimethyl-4-nitrosophenol13331-93-636 % similar p-Phenylene diisocyanate104-49-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoxazolo[5,4-B]pyridin-3-ol16880-54-9 Benzofuroxan480-96-6 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-5 Oxazolo[4,5-b]pyridin-2(3H)-one60832-72-6

Elsewhere

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