(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl chloride

• ChemBase ID: 133645
• Molecular Formular: C20H31ClO
• Molecular Mass: 322.91254
• Monoisotopic Mass: 322.20634329
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cl
• InChI: InChI=1S/C20H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
• InChIKey: NTBLHFFUSJRJQO-DOFZRALJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl chloride
• IUPAC Traditional name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl chloride
• Synonyms: 5,8,11,14-Eicosatetraenoic acid chloride; Arachidonoyl chloride

Database IDs

• CAS Number: 57303-04-5
• MDL Number: MFCD00153912
• PubChem SID: 24890710; 162227922
• PubChem CID: 11727039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.1205006
• LogD (pH = 7.4): 7.1205006
• Log P: 7.1205006
• Molar Refractivity: 103.8125 cm^3
• Polarizability: 38.5554 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.92 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: -20°C

Product Information

• Purity: ~95% (capillary GC, NMR)

DETAILS

Sigma Aldrich - A2941

包装
Sealed ampule