4-nonylbenzoyl chloride

• ChemBase ID: 295306
• Molecular Formular: C16H23ClO
• Molecular Mass: 266.80622
• Monoisotopic Mass: 266.14374304
• SMILES: CCCCCCCCCc1ccc(cc1)C(=O)Cl
• Canonical SMILES: CCCCCCCCCc1ccc(cc1)C(=O)Cl
• InChI: InChI=1S/C16H23ClO/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13H,2-9H2,1H3
• InChIKey: OGIZCELCHIWJEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nonylbenzoyl chloride
• IUPAC Traditional name: 4-nonylbenzoyl chloride
• Synonyms: 4-n-Nonylbenzoyl chloride; 4-正壬基苯甲酰氯

Database IDs

• CAS Number: 54963-70-1
• MDL Number: MFCD00156158
• PubChem SID: 180680837
• PubChem CID: 2753414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.234129
• LogD (pH = 7.4): 6.234129
• Log P: 6.234129
• Molar Refractivity: 79.0219 cm^3
• Polarizability: 30.568527 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3094
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%