5-chloro-1,10-phenanthroline

• ChemBase ID: 109693
• Molecular Formular: C12H7ClN2
• Molecular Mass: 214.65038
• Monoisotopic Mass: 214.02977591
• SMILES: Clc1cc2c(nccc2)c2c1cccn2
• Canonical SMILES: Clc1cc2cccnc2c2c1cccn2
• InChI: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
• InChIKey: XDUUQOQFSWSZSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1,10-phenanthroline
• IUPAC Traditional name: 5-chloro-1,10-phenanthroline
• Synonyms: 5-CHLORO-1,10-PHENANTHROLINE; 5-Chloro-1,10-phenanthroline; 5-氯-邻二氮杂菲; 5-氯邻菲得啉

Database IDs

• CAS Number: 4199-89-7
• EC Number: 224-098-1
• MDL Number: MFCD00004980
• PubChem SID: 162090482; 24858209
• PubChem CID: 77865

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8820417
• LogD (pH = 7.4): 2.892465
• Log P: 2.8925998
• Molar Refractivity: 58.7054 cm^3
• Polarizability: 25.50979 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 123°C; 124-126 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H7ClN2

DETAILS

MP Biomedicals - 05212237

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 301779

Packaging
1 g in glass bottle