propylphosphonoyl dichloride

• ChemBase ID: 295473
• Molecular Formular: C3H7Cl2OP
• Molecular Mass: 160.966841
• Monoisotopic Mass: 159.96115683
• SMILES: CCCP(=O)(Cl)Cl
• Canonical SMILES: CCCP(=O)(Cl)Cl
• InChI: InChI=1S/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3
• InChIKey: CWMQAFZROJAZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propylphosphonoyl dichloride
• IUPAC Traditional name: propylphosphonoyl dichloride
• Synonyms: 1-Propanephosphonic dichloride; 1-Propylphosphonic dichloride; 1-丙基二氯化磷

Database IDs

• CAS Number: 4708-04-7
• EC Number: 225-195-1
• MDL Number: MFCD00002075
• Beilstein Number: 1747457
• PubChem SID: 180681004
• PubChem CID: 78439

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 1.6118706
• LogD (pH = 7.4): 1.6118706
• Log P: 1.6118706
• Molar Refractivity: 33.7178 cm^3
• Polarizability: 13.453935 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Boiling Point: 88-90°C/50mm
• Flash Point: >110°C(230°F)
• Density: 1.290
• Refractive Index: 1.4650

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 96%