4-decylbenzoyl chloride

• ChemBase ID: 107103
• Molecular Formular: C17H25ClO
• Molecular Mass: 280.8328
• Monoisotopic Mass: 280.1593931
• SMILES: CCCCCCCCCCc1ccc(cc1)C(=O)Cl
• Canonical SMILES: CCCCCCCCCCc1ccc(cc1)C(=O)Cl
• InChI: InChI=1S/C17H25ClO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h11-14H,2-10H2,1H3
• InChIKey: HEWLDHSFOQXCSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-decylbenzoyl chloride
• IUPAC Traditional name: 4-decylbenzoyl chloride
• Synonyms: p-DECYLBENZOYL CHLORIDE; 4-n-Decylbenzoyl chloride; 4-正癸基苯甲酰氯

Database IDs

• CAS Number: 54256-43-8
• EC Number: 259-046-7
• MDL Number: MFCD00041724
• PubChem SID: 162106027
• PubChem CID: 104714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.6786976
• LogD (pH = 7.4): 6.6786976
• Log P: 6.6786976
• Molar Refractivity: 83.6229 cm^3
• Polarizability: 32.41261 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 171-173°C/2mm
• Flash Point: >110°C(230°F)

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: 是
• 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%

DETAILS

MP Biomedicals - 05202560

MP Biomedicals Rare Chemical collection