pentadecanoyl chloride

• ChemBase ID: 104485
• Molecular Formular: C15H29ClO
• Molecular Mass: 260.84316
• Monoisotopic Mass: 260.19069323
• SMILES: CCCCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C15H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3
• InChIKey: PQZWQGNQOVDTRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecanoyl chloride
• IUPAC Traditional name: pentadecanoyl chloride
• Synonyms: Pentadecanoyl chloride; PENTADECANOYL CHLORIDE; 十五烷酰氯

Database IDs

• CAS Number: 17746-08-6
• MDL Number: MFCD00045228
• Beilstein Number: 1773803
• PubChem SID: 162091666; 24898360; 24887013
• PubChem CID: 263097

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3453436
• LogD (pH = 7.4): 6.3453436
• Log P: 6.3453436
• Molar Refractivity: 76.3411 cm^3
• Polarizability: 30.282701 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Density: 0.909 g/mL at 20 °C
• Refractive Index: n20/D 1.451

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34-37
• 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: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: ~99%; ≥98.0% (GC); 99%
• Linear Formula: CH3(CH2)13COCl

DETAILS

MP Biomedicals - 02156079

Purity: 99%
Sealed ampule (liquid).

Sigma Aldrich - P2760

Packaging
Sealed ampule

Sigma Aldrich - 76555

Packaging
1 mL in glass bottle