bis(1H-imidazole); [(hydroxydioxochromio)oxy]chromiumoylol

• ChemBase ID: 147295
• Molecular Formular: C6H10Cr2N4O7
• Molecular Mass: 354.1584
• Monoisotopic Mass: 353.93596368
• SMILES: c1cnc[nH]1.c1cnc[nH]1.O[Cr](=O)(=O)O[Cr](=O)(=O)O
• Canonical SMILES: c1ncc[nH]1.c1ncc[nH]1.O[Cr](=O)(=O)O[Cr](=O)(=O)O
• InChI: InChI=1S/2C3H4N2.2Cr.2H2O.5O/c2*1-2-5-3-4-1;;;;;;;;;/h2*1-3H,(H,4,5);;;2*1H2;;;;;/q;;2*+1;;;;;;;/p-2
• InChIKey: OPMAIHGGKQJERG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1H-imidazole); [(hydroxydioxochromio)oxy]chromiumoylol
• IUPAC Traditional name: bis(Him); dichromic acid
• Synonyms: Imidazolium dichromate; 重铬酸咪唑

Database IDs

• CAS Number: 109201-26-5
• MDL Number: MFCD00192224
• PubChem SID: 24864805; 162241485
• PubChem CID: 11727936

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -8.234395
• LogD (pH = 7.4): -8.2344
• Log P: -3.7068
• Molar Refractivity: 12.251 cm^3
• Polarizability: 11.788091 Å^3
• Polar Surface Area: 117.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Toxic (T)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 45-8-23/24/25-36/37/38
• Safety Statements: 53-17-26-27-36/37/39-45
• GHS Pictograms: GHS03; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H301-H311-H315-H319-H331-H335-H350
• GHS Precautionary statements: P201-P220-P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C6H10Cr2N4O7

DETAILS

Sigma Aldrich - 399329

Packaging
10 g in glass bottle