(chloromethyl)phosphonoyl dichloride

• ChemBase ID: 147785
• Molecular Formular: CH2Cl3OP
• Molecular Mass: 167.358741
• Monoisotopic Mass: 165.89088435
• SMILES: C(P(=O)(Cl)Cl)Cl
• Canonical SMILES: ClCP(=O)(Cl)Cl
• InChI: InChI=1S/CH2Cl3OP/c2-1-6(3,4)5/h1H2
• InChIKey: FZXSSJIKXCFPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)phosphonoyl dichloride
• IUPAC Traditional name: chloromethylphosphonoyl dichloride
• Synonyms: Chloromethylphosphonic dichloride; 氯甲基膦酸二氯化物

Database IDs

• CAS Number: 1983-26-2
• EC Number: 217-848-4
• MDL Number: MFCD00002072
• Beilstein Number: 969707
• PubChem SID: 162241968; 24892799
• PubChem CID: 74799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7092432
• LogD (pH = 7.4): 1.7092432
• Log P: 1.7092432
• Molar Refractivity: 29.0324 cm^3
• Polarizability: 11.8457985 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78-82 °C/10 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.638 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.497; n20/D 1.497(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34-36/37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• 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 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: ClCH2P(O)Cl2

DETAILS

Sigma Aldrich - C56255

Packaging
10 g in glass bottle