methoxyphosphonoyl dichloride

• ChemBase ID: 145134
• Molecular Formular: CH3Cl2O2P
• Molecular Mass: 148.913081
• Monoisotopic Mass: 147.92477133
• SMILES: COP(=O)(Cl)Cl
• Canonical SMILES: COP(=O)(Cl)Cl
• InChI: InChI=1S/CH3Cl2O2P/c1-5-6(2,3)4/h1H3
• InChIKey: SNVCRNWSNUUGEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxyphosphonoyl dichloride
• IUPAC Traditional name: methoxyphosphonoyl dichloride
• Synonyms: Methyl phosphorodichloridate; Methyl dichlorophosphate; 甲基二氯磷酰; 二氯磷酸甲酯

Database IDs

• CAS Number: 677-24-7
• EC Number: 211-639-1
• MDL Number: MFCD00002068
• PubChem SID: 24849724; 162239344
• PubChem CID: 69611

CALCULATED PROPERTIES

• Polarizability: 10.691755 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8886495
• LogD (pH = 7.4): 0.8886495
• Log P: 0.8886495
• Molar Refractivity: 26.2776 cm^3

PROPERTIES

Physical Property

• Boiling Point: 62-64 °C/15 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.488 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 3265 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 85%
• Linear Formula: Cl2P(O)OCH3

DETAILS

Sigma Aldrich - 158216

Analysis Note
may contain methyl alcohol as impurity
Packaging
25 g in glass bottle