chempirical

Disperse yellow 1

C12H9N3O5CAS 119-15-3275.22 g/mol

Open in Covalent MOL file
ON+O−NHOHN+OO−
NitroPhenolSecondary amine

Properties

Molecular formula
C12H9N3O5
Molar mass
275.22 g/mol
Exact mass
275.0542 Da
Melting point
194 °C
Water solubility
< 1 g/L (21.1 °C)
logP
2.95Crippen estimate
Polar surface area
118.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
119-15-3
SMILES
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1
InChIKey
BCPQALWAROJVLE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H

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Names and synonyms

42 names · show all
  • Phenol, 4-[(2,4-dinitrophenyl)amino]-
  • Phenol, p-(2,4-dinitroanilino)-
  • 4-[(2,4-Dinitrophenyl)amino]phenol
  • C.I. 10345
  • Acetamine yellow 2R
  • Acetoquinone light yellow 2RZ
  • Amacel yellow RR
  • Celliton fast yellow RR
  • Celliton fast yellow RRA-CF
  • Cilla fast yellow RR
  • 2,4-Dinitro-4′-hydroxydiphenylamine
  • Disperse yellow R
  • Dispersol fast yellow A
  • Dispersol printing yellow A
  • Fenacet fast yellow 2R
  • 4-Hydroxy-2′,4′-dinitrodiphenylamine
  • Kayalon fast yellow RR
  • Microsetile yellow 2R
  • Nyloquinone yellow 2R
  • Perliton yellow RR
  • Reliton yellow R
  • Serisol fast yellow A
  • Setacyl yellow P-BS
  • SRA golden yellow VIII
  • Supracet fast yellow 2R
  • Supracet yellow RR
  • C.I. Disperse yellow 1
  • Fast disperse yellow 2K
  • Disperse fast yellow 2K
  • N-(2,4-Dinitrophenyl)-4-aminophenol
  • 4-(2,4-Dinitroanilino)phenol
  • 4′-Hydroxy-2,4-dinitrodiphenylamine
  • Permanent yellow 2K
  • Dispersol yellow B-A
  • Synten yellow P 2R
  • C.I. Solvent yellow 52
  • Tulasteron fast yellow R-B
  • NSC 13965
  • NSC 408078
  • NSC 6335
  • Disperse yellow stable 2K
  • Disperse yellow 2G

Work with Disperse yellow 1

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

2,4-Dinitrodiphenylamine961-68-272 % similar HC Orange 154381-08-768 % similar 2,4′-Dinitrodiphenylamine612-36-259 % similar 2,4-Dinitrophenylhydrazine119-26-657 % similar 4-Nitrophenol100-02-756 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-253 % similar 2,4-Dinitrophenol51-28-553 % similar 4-Hydroxy-4'-nitrobiphenyl3916-44-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nifuroxazide965-52-6

Elsewhere

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