(9Z,12Z)-octadeca-9,12-dienoyl chloride

• ChemBase ID: 132898
• 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/b7-6-,10-9-
• InChIKey: FBWMYSQUTZRHAT-HZJYTTRNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z,12Z)-octadeca-9,12-dienoyl chloride
• IUPAC Traditional name: (9Z,12Z)-octadeca-9,12-dienoyl chloride
• Synonyms: Linoleoyl chloride; 亚麻酰氯

Database IDs

• CAS Number: 7459-33-8
• EC Number: 231-233-8
• MDL Number: MFCD00151403
• PubChem SID: 24896414; 162227175
• PubChem CID: 9817754

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

• Apperance: liquid
• Density: 0.93 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%

DETAILS

Sigma Aldrich - L5753

包装
Sealed ampule.