1,10-phenanthroline-4,7-diol

• ChemBase ID: 109647
• Molecular Formular: C12H8N2O2
• Molecular Mass: 212.20412
• Monoisotopic Mass: 212.05857751
• SMILES: Oc1ccnc2c1ccc1c2nccc1O
• Canonical SMILES: Oc1ccnc2c1ccc1c2nccc1O
• InChI: InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
• InChIKey: SLIBCJURSADKPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline-4,7-diol
• IUPAC Traditional name: 1,10-phenanthroline-4,7-diol
• Synonyms: 1,10-Phenanthroline-4,7-diol; 4,7-Dihydroxy-1,10-phenanthroline; 4,7-DIHYDROXY-1,10-PHENANTHROLINE; 1,10-Phenanthroline-4,7-diol; 4,7-二羟基-1,10-菲啰啉

Database IDs

• CAS Number: 3922-40-5
• EC Number: 223-493-6
• MDL Number: MFCD00004975
• PubChem SID: 162095569; 24866831
• PubChem CID: 77524

CALCULATED PROPERTIES

• Acid pKa: 10.042369
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6813478
• LogD (pH = 7.4): 1.6804523
• Log P: 1.6814245
• Molar Refractivity: 57.8624 cm^3
• Polarizability: 24.813608 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C (dec.)(lit.); >300°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Compostion: Dye content, 30%
• Empirical Formula (Hill Notation): C12H8N2O2

DETAILS

MP Biomedicals - 05212034

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 429031

Packaging
1 g in glass bottle
250 mg in glass bottle