dichloro(chloromethyl)-λ5-phosphanethione

• ChemBase ID: 295494
• Molecular Formular: CH2Cl3PS
• Molecular Mass: 183.424341
• Monoisotopic Mass: 181.86804073
• SMILES: C(P(=S)(Cl)Cl)Cl
• Canonical SMILES: ClCP(=S)(Cl)Cl
• InChI: InChI=1S/CH2Cl3PS/c2-1-5(3,4)6/h1H2
• InChIKey: HRHKZXIMFUYRDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(chloromethyl)-λ^5-phosphanethione
• IUPAC Traditional name: dichloro(chloromethyl)-λ^5-phosphanethione
• Synonyms: Chloromethylphosphonothioic dichloride; 氯甲基硫膦

Database IDs

• CAS Number: 1983-27-3
• MDL Number: MFCD00015876
• PubChem SID: 180681025
• PubChem CID: 583951

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5247734
• LogD (pH = 7.4): 2.5247734
• Log P: 2.5247734
• Molar Refractivity: 37.0233 cm^3
• Polarizability: 14.949955 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88-90°C/30mm
• Refractive Index: 1.5750

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• 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: 98%