[(hydroxydioxochromio)oxy]chromiumoylol; bis(quinoline)

• ChemBase ID: 148886
• Molecular Formular: C18H16Cr2N2O7
• Molecular Mass: 476.32104
• Monoisotopic Mass: 475.97676586
• SMILES: c1ccc2c(c1)cccn2.c1ccc2c(c1)cccn2.O[Cr](=O)(=O)O[Cr](=O)(=O)O
• Canonical SMILES: c1ccc2c(c1)nccc2.c1ccc2c(c1)nccc2.O[Cr](=O)(=O)O[Cr](=O)(=O)O
• InChI: InChI=1S/2C9H7N.2Cr.2H2O.5O/c2*1-2-6-9-8(4-1)5-3-7-10-9;;;;;;;;;/h2*1-7H;;;2*1H2;;;;;/q;;2*+1;;;;;;;/p-2
• InChIKey: VYAXDENVDDHTOH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(hydroxydioxochromio)oxy]chromiumoylol; bis(quinoline)
• IUPAC Traditional name: bis(cinch); dichromic acid
• Synonyms: Quinolinium dichromate; 重铬酸喹啉

Database IDs

• CAS Number: 56549-24-7
• MDL Number: MFCD00059108
• PubChem SID: 24864319; 162243058
• PubChem CID: 11698588

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0912383
• LogD (pH = 7.4): 2.1303756
• Log P: 2.1309004
• Molar Refractivity: 39.9793 cm^3
• Polarizability: 17.084923 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-167 °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: 97%
• Empirical Formula (Hill Notation): C18H16Cr2N2O7