ethoxyphosphonoyl dichloride

• ChemBase ID: 75019
• Molecular Formular: C2H5Cl2O2P
• Molecular Mass: 162.939661
• Monoisotopic Mass: 161.94042139
• SMILES: P(=O)(Cl)(Cl)OCC
• Canonical SMILES: CCOP(=O)(Cl)Cl
• InChI: InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3
• InChIKey: YZBOZNXACBQJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxyphosphonoyl dichloride
• IUPAC Traditional name: ethyl phosphorodichloridate
• Synonyms: Ethyl phosphorodichloridoate; Ethyl dichlorophosphate; Ethyl phosphorodichloridate; Ethyl dichlorophosphate; 乙基磷酰二氯; 二氯磷酸乙酯

Database IDs

• CAS Number: 1498-51-7
• EC Number: 216-099-0
• MDL Number: MFCD00002069
• PubChem SID: 24894467; 162039937
• PubChem CID: 15158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2454575
• LogD (pH = 7.4): 1.2454575
• Log P: 1.2454575
• Molar Refractivity: 31.0262 cm^3
• Polarizability: 12.466118 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-65 °C/10 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.373 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.434(lit.)

Safety Information

• Storage Warning: Very Toxic/Corrosive/Moisture Sensitive
• RTECS: TD4390000
• European Hazard Symbols: Corrosive (C); Highly toxic (T+)
• UN Number: 3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26-34
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H330
• GHS Precautionary statements: P260-P280-P284-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 3390 6.1/PG 1

Product Information

• Purity: 96%
• Linear Formula: C2H5OP(O)Cl2

DETAILS

Sigma Aldrich - E23704

Packaging
25, 100 g in glass bottle