1-(diazomethyl)pyrene

• ChemBase ID: 157739
• Molecular Formular: C17H10N2
• Molecular Mass: 242.2747
• Monoisotopic Mass: 242.08439833
• SMILES: c1cc2ccc3ccc(c4c3c2c(c1)cc4)C=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C17H10N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
• InChIKey: PEIBAWRLFPGPAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diazomethyl)pyrene
• IUPAC Traditional name: 1-(diazomethyl)pyrene
• Synonyms: Pyrene, 1-(diazomethyl); 1-Pyrenyldiazomethane; PDAM; 1-芘基重氮甲烷; 芘,1-(重氮甲烷)

Database IDs

• CAS Number: 78377-23-8
• MDL Number: MFCD00467268
• PubChem SID: 162251876
• PubChem CID: 2762674

CALCULATED PROPERTIES

• Acid pKa: 9.256811
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4880717
• LogD (pH = 7.4): 2.4867115
• Log P: 2.488089
• Molar Refractivity: 76.0066 cm^3
• Polarizability: 32.99666 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Grade: for HPLC derivatization
• Shipped in: dry ice
• Empirical Formula (Hill Notation): C17H10N2

DETAILS

Sigma Aldrich - P6863

Application
Fluorescent diazoalkane useful as an HPLC derivatization reagent for carboxylic acid detection with better detection limit parameters and greater chemical stability than the commonly used 9-anthryldiazomethane.