(13C)methylphosphonoyl dichloride

• ChemBase ID: 135220
• Molecular Formular: CH3Cl2OP
• Molecular Mass: 133.90633584
• Monoisotopic Mass: 132.93321154
• SMILES: [13CH3]P(=O)(Cl)Cl
• Canonical SMILES: [13CH3]P(=O)(Cl)Cl
• InChI: InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3/i1+1
• InChIKey: SCLFRABIDYGTAZ-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methylphosphonoyl dichloride
• IUPAC Traditional name: (^1^3C)methylphosphonoyl dichloride
• Synonyms: Methylphosphonic-13C dichloride; 二氯甲基膦-13C

Database IDs

• MDL Number: MFCD01075588
• PubChem SID: 162229495
• PubChem CID: 71309157

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7424308
• LogD (pH = 7.4): 0.7424308
• Log P: 0.7424308
• Molar Refractivity: 24.3214 cm^3
• Polarizability: 9.872593 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-37 °C(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 133.91 by atom % calculation
• Linear Formula: H313CP(O)Cl2

DETAILS

Sigma Aldrich - 606383

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.