tridecanoyl chloride

• ChemBase ID: 104738
• Molecular Formular: C13H25ClO
• Molecular Mass: 232.79
• Monoisotopic Mass: 232.1593931
• SMILES: CCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C13H25ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
• InChIKey: FJRPWCNFWGBGOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecanoyl chloride
• IUPAC Traditional name: tridecanoyl chloride
• Synonyms: Tridecanoyl chloride; TRIDECANOYL CHLORIDE; 十三酰氯

Database IDs

• CAS Number: 17746-06-4
• MDL Number: MFCD00057694
• Beilstein Number: 1767828
• PubChem SID: 24889493; 162093043
• PubChem CID: 87288

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4562063
• LogD (pH = 7.4): 5.4562063
• Log P: 5.4562063
• Molar Refractivity: 67.1391 cm^3
• Polarizability: 26.597265 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.914 g/mL at 20 °C
• Refractive Index: n20/D 1.447

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (GC); 99%
• Linear Formula: CH3(CH2)11COCl

DETAILS

MP Biomedicals - 02156999

Purity: 99%
Liquid

Sigma Aldrich - 91550

Packaging
1 mL in glass bottle