diethyl chloro(sulfanylidene)phosphonite

• ChemBase ID: 137880
• Molecular Formular: C4H10ClO2PS
• Molecular Mass: 188.612761
• Monoisotopic Mass: 187.98276487
• SMILES: CCOP(=S)(OCC)Cl
• Canonical SMILES: CCOP(=S)(OCC)Cl
• InChI: InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
• InChIKey: KMJJJTCKNZYTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl chloro(sulfanylidene)phosphonite
• IUPAC Traditional name: diethyl chloro(sulfanylidene)phosphonite
• Synonyms: O,O′-Diethylthiophosphoric chloride; Diethyl phosphorochloridothionate; O,O′-Diethyl chlorothiophosphate; O,O′-二乙基硫代磷酰氯; 二乙基氯硫代磷酸酯; 二乙基硫代磷酰氯

Database IDs

• CAS Number: 2524-04-1
• EC Number: 219-755-4
• MDL Number: MFCD00009088
• PubChem SID: 24894270; 162232141
• PubChem CID: 17305

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1046994
• LogD (pH = 7.4): 2.1046994
• Log P: 2.1046994
• Molar Refractivity: 44.6763 cm^3
• Polarizability: 18.083042 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 45 °C/3 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.2 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)
• Vapor Pressure: 1.4 mmHg ( 50 °C)

Safety Information

• RTECS: TD1780000
• European Hazard Symbols: Toxic (T)
• UN Number: 2751
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P301 + P310-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 2751 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: (CH3CH2O)2P=(S)Cl

DETAILS

Sigma Aldrich - D91683

Packaging
100 g in glass bottle