4,4'-Dinitrocarbanilide

C13H10N4O5CAS 587-90-6302.25 g/mol

Open in Covalent MOL file
OHNN+OO−NHN+OO−
NitroUrea

Properties

Molecular formula
C13H10N4O5
Molar mass
302.25 g/mol
Exact mass
302.0651 Da
Melting point
312 °C (decomposes)
logP
3.15Crippen estimate
Polar surface area
127.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
587-90-6
SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIKey
JEZZOKXIXNSKQD-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)

Weigh it out

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

Names and synonyms

12 names
  • 4,4′-Dinitrocarbanilide
  • Urea, N,N′-bis(4-nitrophenyl)-
  • Carbanilide, 4,4′-dinitro-
  • N,N′-Bis(4-nitrophenyl)urea
  • 4,4′-Dinitrodiphenylurea
  • N,N′-Di(p-nitrophenyl)urea
  • DNC
  • N,N′-Bis(p-nitrophenyl)urea
  • NSC 101086
  • 1,3-Bis(4-nitrophenyl)urea
  • 1,3-Di(4-nitrophenyl)urea
  • 1,3-Bis(p-nitrophenyl)urea

Work with 4,4'-Dinitrocarbanilide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nicarbazin330-95-0Salt

Similar compounds

4,4'-Dinitrophenylcarbazide622-69-569 % similar N-Methyl-4-nitroaniline100-15-261 % similar 4′-Nitrobenzanilide3393-96-261 % similar N-(4-Nitrophenyl)thiourea3696-22-860 % similar (4-Nitrophenyl)hydrazine100-16-358 % similar 1,4-Dinitrobenzene100-25-458 % similar 4-Nitrodiphenylamine836-30-655 % similar p-Nitrophenylhydrazine hydrochloride636-99-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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