tripotassium hexacyanochromiumtriuide

• ChemBase ID: 147873
• Molecular Formular: C6CrK3N6
• Molecular Mass: 325.3954
• Monoisotopic Mass: 324.85007157
• SMILES: C(#N)[Cr-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
• Canonical SMILES: N#C[Cr-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
• InChI: InChI=1S/6CN.Cr.3K/c6*1-2;;;;/q;;;;;;-3;3*+1
• InChIKey: VOCDJOPDZZSPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium hexacyanochromiumtriuide
• IUPAC Traditional name: tripotassium hexacyanochromate(3-)
• Synonyms: Potassium hexacyanochromate(III); 六氰铬酸钾

Database IDs

• CAS Number: 13601-11-1
• EC Number: 237-079-8
• MDL Number: MFCD00049670
• PubChem SID: 162242055; 24870905
• PubChem CID: 21123765

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.1094
• LogD (pH = 7.4): -1.1094
• Log P: -1.1094
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.561348 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >350 °C(lit.)

Safety Information

• UN Number: 1588
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 32
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1588 6.1/PG 2

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: K3Cr(CN)6

DETAILS

Sigma Aldrich - 473448

Packaging
1 g in glass bottle