methyl(propan-2-yloxy)phosphinoyl fluoride

• ChemBase ID: 129385
• Molecular Formular: C4H10FO2P
• Molecular Mass: 140.0931642
• Monoisotopic Mass: 140.04024441
• SMILES: FP(=O)(OC(C)C)C
• Canonical SMILES: CC(OP(=O)(F)C)C
• InChI: InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
• InChIKey: DYAHQFWOVKZOOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(propan-2-yloxy)phosphinoyl fluoride
• IUPAC Traditional name: isopropoxy(methyl)phosphinoyl fluoride
• Synonyms: (RS)-O-Isopropyl methylphosphonofluoridate; IMPFGB2-(Fluoro-methylphosphoryl)oxypropanePhosphonofluoridic acid; P-methyl-, 1-methylethyl ester; Sarin

Database IDs

• CAS Number: 107-44-8
• PubChem SID: 162223679
• PubChem CID: 7871
• CHEMBL: 509554
• Chemspider ID: 7583
• Unique Ingredient Identifier: B4XG72QGFM
• Wikipedia Title: Sarin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7672783
• LogD (pH = 7.4): 0.7672783
• Log P: 0.7672783
• Molar Refractivity: 29.7644 cm^3
• Polarizability: 11.965181 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Clear colorless liquid
• Melting Point: -56°C
• Boiling Point: 158°C
• Density: 1.0887 g/cm3 (25 °C); 1.102 g/cm3 (20 °C)
• Odor: Odorless in pure form

Safety Information

• NFPA704:
  

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