docosanoyl chloride

• ChemBase ID: 139266
• Molecular Formular: C22H43ClO
• Molecular Mass: 359.02922
• Monoisotopic Mass: 358.30024368
• SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C22H43ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3
• InChIKey: QTHQYNCAWSGBCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosanoyl chloride
• IUPAC Traditional name: docosanoyl chloride
• Synonyms: Docosanoyl chloride; Behenoyl chloride; 山嵛酰氯; 二十二酰氯

Database IDs

• CAS Number: 21132-76-3
• MDL Number: MFCD00056354
• Beilstein Number: 1792888
• PubChem SID: 24847395; 162233514
• PubChem CID: 4104741

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.457324
• LogD (pH = 7.4): 9.457324
• Log P: 9.457324
• Molar Refractivity: 108.5481 cm^3
• Polarizability: 43.192623 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3265 8/PG 3

Product Information

• Purity: ≥99.0% (GC)
• Linear Formula: CH3(CH2)20COCl

DETAILS

Sigma Aldrich - 11935

Packaging
1 g in glass bottle