trichloro-$l^{5}-phosphanethione

• ChemBase ID: 80776
• Molecular Formular: Cl3PS
• Molecular Mass: 169.397761
• Monoisotopic Mass: 167.85239067
• SMILES: P(=S)(Cl)(Cl)Cl
• Canonical SMILES: ClP(=S)(Cl)Cl
• InChI: InChI=1S/Cl3PS/c1-4(2,3)5
• InChIKey: WQYSXVGEZYESBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro-$l^{5}-phosphanethione; trichloro-λ^5-phosphanethione
• IUPAC Traditional name: thiophosphoryl chloride; trichloro-λ^5-phosphanethione
• Synonyms: Phosphorus sulfochloride; Phosphorus thiochloride; Thiophosphoryl chloride; thiophosphoryl chloride; Thiophosphoryl chloride; 三氯硫磷; 硫代氯化磷酰; 硫代磷酰氯

Database IDs

• CAS Number: 3982-91-0
• EC Number: 223-622-6
• MDL Number: MFCD00011504
• PubChem SID: 24853426; 162067896
• PubChem CID: 19883
• Chemspider ID: 18729
• Wikipedia Title: Thiophosphoryl_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1659546
• LogD (pH = 7.4): 2.1659546
• Log P: 2.1659546
• Molar Refractivity: 33.3579 cm^3
• Polarizability: 13.197448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water; Soluble in benzene, Chloroform, CS₂ and CCl₄.
• Apperance: Colorless liquid
• Melting Point: -35 °C(lit.); -35 °C (987 K)
• Boiling Point: 125 °C(lit.); 125 °C (1685 K)
• Flash Point: ?°C
• Density: 1.668 g/mL at 25 °C(lit.); 1.67 g/cm^3
• Refractive Index: n20/D 1.555(lit.)

Safety Information

• RTECS: XN2930000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 1837
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-26-34-52/53
• Safety Statements: 26-28-36/37/39-45-61
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: Violent hydrolysis
• GHS Hazard statements: H302-H314-H330
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1837 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: PSCl3

DETAILS

Sigma Aldrich - 224294

Packaging
1.4 kg in glass bottle
100, 350 g in glass bottle