ethylphosphonoyl dichloride

• ChemBase ID: 147519
• Molecular Formular: C2H5Cl2OP
• Molecular Mass: 146.940261
• Monoisotopic Mass: 145.94550677
• SMILES: CCP(=O)(Cl)Cl
• Canonical SMILES: CCP(=O)(Cl)Cl
• InChI: InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3
• InChIKey: OWGJXSYVHQEVHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylphosphonoyl dichloride
• IUPAC Traditional name: phosphonic dichloride, ethyl-
• Synonyms: Ethylphosphonic dichloride; Ethanephosphonic dichloride; P-Ethyl-phosphonic Dichloride; Dichloroethylphosphine Oxide; Ethylphosphonic Acid Dichloride; Ethylphosphonic Dichloride; Ethylphosphoryl Dichloride; 二氯化乙基磷酸

Database IDs

• CAS Number: 1066-50-8
• EC Number: 213-918-3
• MDL Number: MFCD00002073
• PubChem SID: 162241707; 24856684
• PubChem CID: 70596

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1186616
• LogD (pH = 7.4): 1.1186616
• Log P: 1.1186616
• Molar Refractivity: 29.1938 cm^3
• Polarizability: 11.657315 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Light Yellow Liquid
• Boiling Point: 71-72 °C/12 mmHg(lit.); 71-72°C/12mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.376; 1.376 g/mL at 25 °C(lit.)
• Refractive Index: 1.4665; n20/D 1.465(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: TA1780000
• European Hazard Symbols: Toxic (T)
• UN Number: 2922; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 23/24/25-34; 23-34
• Safety Statements: 23-26-36/37/39-45; 4-9-20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H314-H331; H330-H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A; P261-P264-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 2922 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C2H5P(O)Cl2

DETAILS

Sigma Aldrich - 275964

Packaging
5 g in glass bottle