chempirical

C.I. Pigment blue 29

Al6Na8O24S3Si6CAS 57455-37-5994.47 g/mol

Open in Covalent MOL file
O−SiO−O−O−O−SiO−O−O−O−SiO−O−O−O−SiO−O−O−O−SiO−O−O−O−SiO−O−O−Na+Na+Na+Na+Na+Na+Na+Na+Al3+Al3+Al3+Al3+Al3+Al3+S−SS−

Properties

Molecular formula
Al6Na8O24S3Si6
Molar mass
994.47 g/mol
Exact mass
993.4631 Da
logP
-56.43Crippen estimate
Polar surface area
553.4 Ų
H-bond donors / acceptors
0 / 27
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 321 ECHA notifiers. Aggregated from 321 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
57455-37-5
SMILES
[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[S-]S[S-]
InChIKey
IRERQBUNZFJFGC-UHFFFAOYSA-L
InChI
InChI=1S/6Al.8Na.6O4Si.H2S3/c;;;;;;;;;;;;;;6*1-5(2,3)4;1-3-2/h;;;;;;;;;;;;;;;;;;;;1-2H/q6*+3;8*+1;6*-4;/p-2

Weigh it out

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

Names and synonyms

89 names · show all
  • Ultramarine (pigment)
  • Ultramarine
  • Ultrablue
  • Ultramarine blue
  • PB 80
  • PB 100 (pigment)
  • PB 100
  • Cosmetic blue U
  • Reckitts ultramarine blue
  • BSD 1
  • Pigment blue 29
  • Gunjo 4000
  • Gunjo 8000
  • Ultramarine blue RS 6
  • Ultramarine blue 1500
  • Ultramarine blue 2000
  • Sanylene blue 39-93
  • G 90
  • G 90 (Pigment)
  • CR 50
  • CR 50 (pigment)
  • Gunjo 2000
  • Ultramarine blue 5009
  • C.I. 77007
  • Ultramarine blue 6394
  • Ultramarine blue UMB 293
  • Gunjo AP 201
  • DV 20
  • DV 3 (pigment)
  • NO 8000
  • NO 1500
  • Cosmetic ultramarine blue CB 80
  • Ultramarine blue 07T
  • Ultramarine blue CB 80
  • Levanox ultramarine 3113LF
  • H 2000
  • H 2000 (Pigment)
  • CB 80
  • Ultramarine blue 05
  • Ultramarine blue 17
  • Sicomet blue P 77007
  • Ultramarine blue 52
  • Premier SRX
  • Ultramarine blue EP 62
  • Kremer 45010
  • PB 29
  • Ultramarine blue 300
  • Nubiflow
  • FP 40
  • Gunjo 2400
  • Ultramarine blue premier FRX
  • Gunjo 1900
  • RS 05
  • Ultramarine blue FP 40
  • BPA 5500A
  • Ultramarine blue 5085
  • Gunjo 8600P
  • Nubix G 58
  • Nubix EP 62
  • NBK 1035
  • Milori blue N 650
  • Blue sodium polysulfide aluminosilicate sodalite-type
  • CB 80Z
  • CP 88
  • CP 88 (pigment)
  • EP 19
  • Ultramarine 462
  • Nubiperf AR
  • RS 08
  • EP 62 (pigment)
  • Gunjo PB 30
  • SunCROMA SW-D 5018 ultramarine blue
  • Bleu outremer 54
  • Gunjo D 281
  • H 04F583
  • Ultramarine blue CM 121
  • Ultramarine 5085
  • Gunjo
  • Ultramarine 5008
  • CL 22
  • H 0905/06
  • Ultramarine NI 12
  • Blue outremer 32
  • UPL 2905
  • Huilerui 5008
  • Ultrablue CM 208
  • EP 62C
  • C.I. PB 29
  • C43-1810 SunCroma ultramarine blue

Work with C.I. Pigment blue 29

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

Sodium orthosilicate13472-30-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook