octadeca-9,12-dienoyl chloride

• ChemBase ID: 104248
• Molecular Formular: C18H31ClO
• Molecular Mass: 298.89114
• Monoisotopic Mass: 298.20634329
• SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)Cl
• Canonical SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)Cl
• InChI: InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3
• InChIKey: FBWMYSQUTZRHAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadeca-9,12-dienoyl chloride
• IUPAC Traditional name: octadeca-9,12-dienoyl chloride
• Synonyms: LINOLELAIDOYL CHLORIDE; LINOLEOYL CHLORIDE

Database IDs

• CAS Number: 7372-07-8; 7459-33-8
• EC Number: 231-233-8
• PubChem SID: 162091558
• PubChem CID: 5365578

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9552064
• LogD (pH = 7.4): 6.9552064
• Log P: 6.9552064
• Molar Refractivity: 92.3773 cm^3
• Polarizability: 35.337936 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.93 g/ml

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02155251

Purity: 99% Sealed ampule. 1 ml = approx. 0.93 g

MP Biomedicals - 02155242

Purity: 99% Sealed ampule (liquid).