2-(pyridin-2-yl)pyridine; chlorochromiumoylol

• ChemBase ID: 138620
• Molecular Formular: C10H9ClCrN2O3
• Molecular Mass: 292.63916
• Monoisotopic Mass: 291.97067734
• SMILES: c1ccnc(c1)c1ccccn1.O[Cr](=O)(=O)Cl
• Canonical SMILES: c1ccc(nc1)c1ccccn1.O[Cr](=O)(=O)Cl
• InChI: InChI=1S/C10H8N2.ClH.Cr.H2O.2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h1-8H;1H;;1H2;;/q;;+2;;;/p-2
• InChIKey: LEZAZQDIYCYEIE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)pyridine; chlorochromiumoylol
• IUPAC Traditional name: bipyridyl; chlorochromiumoylol
• Synonyms: 2,2′-Bipyridinium chlorochromate; 2,2′-联吡啶氯铬酸

Database IDs

• CAS Number: 76899-34-8
• EC Number: 278-569-1
• MDL Number: MFCD00012806
• PubChem SID: 24854185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 45-8-23/24/25-36/37/38-50/53
• Safety Statements: 53-17-26-36/37/39-45-60-61
• GHS Pictograms: GHS03; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H301-H311-H315-H319-H331-H335-H350-H400
• GHS Precautionary statements: P201-P220-P261-P273-P280-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H9ClCrN2O3

DETAILS

Sigma Aldrich - 236748

Packaging
25 g in glass bottle