(1-13C)tetradecanoyl chloride

• ChemBase ID: 134742
• Molecular Formular: C14H27ClO
• Molecular Mass: 247.80923484
• Monoisotopic Mass: 247.178398
• SMILES: CCCCCCCCCCCCC[13C](=O)Cl
• Canonical SMILES: CCCCCCCCCCCCC[13C](=O)Cl
• InChI: InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3/i14+1
• InChIKey: LPWCRLGKYWVLHQ-UJKGMGNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^3C)tetradecanoyl chloride
• IUPAC Traditional name: (1-^1^3C)tetradecanoyl chloride
• Synonyms: Myristoyl-1-13C chloride; 肉豆蔻酰-1-13C 氯

Database IDs

• CAS Number: 286425-34-1
• MDL Number: MFCD00190366
• PubChem SID: 162229018
• PubChem CID: 71308894

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.900775
• LogD (pH = 7.4): 5.900775
• Log P: 5.900775
• Molar Refractivity: 71.7401 cm^3
• Polarizability: 28.439728 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 250 °C/100 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.912 g/mL at 25 °C
• Mass Shift: M+1

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: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3265 8/PG 2

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 247.82 by atom % calculation
• Linear Formula: CH3(CH2)1213COCl

DETAILS

Sigma Aldrich - 591858

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.