chempirical

Pigment red 63:1

C21H12CaN2O6SCAS 6417-83-0460.47 g/mol

Open in Covalent MOL file
O−ONNSO−OOHOCa2+
AzoCarboxylic acidPhenolSulfonic acid

Properties

Molecular formula
C21H12CaN2O6S
Molar mass
460.47 g/mol
Exact mass
460.0042 Da
logP
4.68Crippen estimate
Polar surface area
136.6 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
4

Identifiers

CAS number
6417-83-0
SMILES
[O-]C(=O)c1cc2ccccc2c(N=Nc2ccc3ccccc3c2S([O-])(=O)=O)c1O.[Ca+2]
InChIKey
SWGFDXUZUMTQLC-UHFFFAOYSA-N
InChI
InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);

Weigh it out

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

Names and synonyms

25 names · show all
  • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(1-sulfo-2-naphthalenyl)diazenyl]-, calcium salt (1:1)
  • C.I. Pigment Red 63, calcium salt (1:1)
  • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(1-sulfo-2-naphthalenyl)azo]-, calcium salt (1:1)
  • 1952 Red
  • Bordeaux toner BFR
  • Eljon claret YS
  • Lake bordeaux BC
  • D And C red no. 34
  • Bordeaux 10B
  • Deep maroon lake
  • HK Formula K 7122
  • Fanchon maroon
  • Red 220
  • C.I. Pigment red 63:1
  • Japan red 220
  • Japan red no. 220
  • Lithol maroon ML 1320
  • C.I. 15880:1
  • Lithol bordeaux 4761
  • D&C Red no. 34
  • D And C red 34 calcium lake
  • D&C Red 34 calcium lake
  • Red 34 lake
  • Red no. 220
  • D&C Red #34

Work with Pigment red 63:1

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

Lithol rubine bk5281-04-972 % similar Pigment red 52:117852-99-265 % similar Pigment red 48:27023-61-265 % similar Pigment red 57:217852-98-164 % similar Pigment red 48:17585-41-358 % similar Pigment red 49:11103-38-452 % similar Disodium pamoate6640-22-845 % similar Amaranth (dye)915-67-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook