ethyl dichloro(sulfanylidene)phosphinite

• ChemBase ID: 137536
• Molecular Formular: C2H5Cl2OPS
• Molecular Mass: 179.005261
• Monoisotopic Mass: 177.91757777
• SMILES: CCOP(=S)(Cl)Cl
• Canonical SMILES: CCOP(=S)(Cl)Cl
• InChI: InChI=1S/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3
• InChIKey: SMODMOZAUKBGGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl dichloro(sulfanylidene)phosphinite
• IUPAC Traditional name: ethyl dichloro(sulfanylidene)phosphinite
• Synonyms: Ethyl phosphorodichloridothionate; Ethyl dichlorothiophosphate; 乙基硫代磷酰二氯; 二氯硫代磷酸乙酯

Database IDs

• CAS Number: 1498-64-2
• EC Number: 216-100-4
• MDL Number: MFCD00004915
• PubChem SID: 162231798; 24894471
• PubChem CID: 73907

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.135327
• LogD (pH = 7.4): 2.135327
• Log P: 2.135327
• Molar Refractivity: 39.0171 cm^3
• Polarizability: 15.624863 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55-68 °C/10 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.353 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.504(lit.)
• Vapor Pressure: 10 mmHg ( 55 °C)

Safety Information

• RTECS: TD4400000
• European Hazard Symbols: Toxic (T)
• UN Number: 3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 22-23/24-34
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H314-H331
• GHS Precautionary statements: P261-P280-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 3390 6.1/PG 1

Product Information

• Purity: 95%
• Linear Formula: C2H5OP(S)Cl2

DETAILS

Sigma Aldrich - E23909

Packaging
25, 100 g in glass bottle