| CAS Number | 57455-37-5 |
| Catalog Number | AG00ILNG(AGN-PC-0SNQ36) |
| Chemical Name | C.I. Pigment Blue 29 |
| EC Number | 611-533-9 |
| 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 |
| InChI Key | IRERQBUNZFJFGC-UHFFFAOYSA-L |
| Molecular Formula | Al6Na8O24S3Si6 |
| Molecular Weight | 994.5010 |
| 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-] |
| UNII | I39WR998BI |
| Synonyms | ultramarine (pigment),
UNII-I39WR998BI,
I39WR998BI,
57455-37-5,
Azure blue,
Ultramarine (pigment),
C.I. PIGMENT BLUE 29,
Ultramarine blue pigment,
C. I. 77007,
AKOS032950034,
SC-21283,
Ultramarine Blue,
Pigment Blue 29,
Pigmento azul 29,
EC 309-928-3,
|
| Complexity | 19.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 21 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 993.463g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 27 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 994.473g/mol |
| Monoisotopic Mass | 993.463g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 581A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number