chempirical

Blue K

C28H12Cl2N2O4CAS 130-20-1511.31 g/mol

Open in Covalent MOL file
OOClHNNHClOO
Aryl halide

Properties

Molecular formula
C28H12Cl2N2O4
Molar mass
511.31 g/mol
Exact mass
510.0174 Da
logP
5.45Crippen estimate
Polar surface area
99.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
130-20-1
SMILES
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
InChIKey
UGCDBQWJXSAYIL-UHFFFAOYSA-N
InChI
InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H

Weigh it out

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

Names and synonyms

92 names · show all
  • 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-
  • C.I. 69825
  • Indanthrene, 7,16-dichloro-
  • 7,16-Dichloro-6,15-dihydro-5,9,14,18-anthrazinetetrone
  • Ahcovat blue BCF
  • Alizanthrene blue RC
  • Amanthrene blue BCL
  • Atic vat blue BC
  • Benzadone blue RC
  • Calcoloid blue BLC
  • Calcoloid blue BLD
  • Calcoloid blue BLFD
  • Calcoloid blue BLR
  • Caledon blue XRC
  • Carbanthrene blue BCF
  • Carbanthrene blue BCS
  • Carbanthrene blue RBCF
  • Carbanthrene blue RCS
  • Cibanone blue FG
  • Cibanone blue FGF
  • Cibanone blue FGL
  • Cibanone blue GF
  • C.I. Vat blue 6
  • 3,3′-Dichloroindanthrone
  • 7,16-Dichloroindanthrone
  • 7:16-Dichloro-6:15-indanthrone
  • Fenan blue BCS
  • Fenanthren blue BC
  • Fenanthren blue BD
  • Helanthrene blue BC
  • Indanthren blue BC
  • Indanthren blue BCA
  • Indanthren blue BCS
  • Indanthrene blue BC
  • Indo blue B-I
  • Indo blue WD 279
  • Indotoner blue B 79
  • Mikethrene blue BC
  • Mikethrene blue BCS
  • Monolite fast blue 2RVSA
  • Monolite fast blue 2RV
  • Navinon blue BC
  • Navinon brilliant blue RCL
  • Nihonthrene blue BC
  • Nihonthrene brilliant blue RCL
  • Nyanthrene blue BFP
  • Ostanthren blue BCL
  • Ostanthren blue BCS
  • Palanthrene blue BC
  • Palanthrene blue BCA
  • Paradone blue RC
  • Pernithrene blue BC
  • Ponsol blue BCS
  • Ponsol blue BF
  • Ponsol blue BFD
  • Ponsol blue BFDP
  • Ponsol blue BFN
  • Ponsol blue BFND
  • Ponsol blue BFP
  • Resinated indo blue B 85
  • Romantrene blue FBC
  • Sandothrene blue NG
  • Sandothrene blue NGR
  • Sandothrene blue NGW
  • Solanthrene blue B
  • Solanthrene blue SB
  • Tinon blue GF
  • Tinon blue GL
  • Vat fast blue BCS
  • D And C blue no. 9
  • Harmone B 79
  • Indanthrene blue BCF
  • Vat blue 6
  • Vat sky blue KP 2F
  • Dichloroindanthrone
  • Solanthrene blue F-SBA
  • Vat blue KD
  • Vat sky blue KD
  • Vat sky blue K
  • Vat green B
  • Intravat blue GF
  • C.I. Pigment blue 64
  • Pigment blue 64
  • Sumitone fast blue 3RS
  • Novatic blue BC
  • Vat blue BC
  • Japan blue 204
  • NSC 74700
  • Cibanone blue GFJ-MD
  • Mikethren Blue BC Super-fine
  • D&C Blue no. 9
  • D&C Blue 9

Work with Blue K

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

16,23-Dihydronaphth[2′,3′:6,7]indolo[2,3-C]dinaphtho[2,3-A:2′,3′-I]carbazole-5,10,15,17,22,24-hexone2475-33-454 % similar Indanthrone blue81-77-651 % similar Quinacridone1047-16-139 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-534 % similar 1-Chloronaphthalene90-13-134 % similar 2-Chlorothioxanthone86-39-534 % similar 2,4-Dichloro-1-naphthol2050-76-233 % similar Pigment red 2023089-17-633 % similar

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

Elsewhere

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