methyl dichlorophosphinite

• ChemBase ID: 145781
• Molecular Formular: CH3Cl2OP
• Molecular Mass: 132.913681
• Monoisotopic Mass: 131.92985671
• SMILES: COP(Cl)Cl
• Canonical SMILES: COP(Cl)Cl
• InChI: InChI=1S/CH3Cl2OP/c1-4-5(2)3/h1H3
• InChIKey: HCSDJECSMANTCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl dichlorophosphinite
• IUPAC Traditional name: methyl dichlorophosphinite
• Synonyms: Methyl Dichlorophosphite; Dichloromethoxyphosphine; Methoxydichlorophosphine; Methoxyphosphonous Dichloride; O-Methyl Phosphorodichloridite; Dichloro Methyl Phosphite; Methyl phosphorodichloridite; Methyl dichlorophosphite; Methyl phosphorodichloridite; 甲氧基二氯化膦; 二氯亚磷酸甲酯

Database IDs

• CAS Number: 3279-26-3
• EC Number: 221-915-3
• MDL Number: MFCD00000524
• Beilstein Number: 1697452
• PubChem SID: 24884785; 24854089; 162239983
• PubChem CID: 76768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7915
• LogD (pH = 7.4): 1.7915
• Log P: 1.7915
• Molar Refractivity: 26.1555 cm^3
• Polarizability: 9.95921 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Liquid
• Melting Point: -91 °C(lit.)
• Boiling Point: 65°C@400mmHg.; 92-93°C; 93-95 °C(lit.)
• Flash Point: 25 °C; 40°C(104°F); 77 °F
• Density: 1.375; 1.376 g/mL at 20 °C(lit.)
• Refractive Index: 1.4850; n20/D 1.474(lit.); n20/D 1.475

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-14-34; 10-14-34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2920 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum; technical grade
• Linear Formula: CH3OPCl2

DETAILS

Sigma Aldrich - 235229

Packaging
10, 50 g in ampule
Application
Employed in the synthesis of phosphorodichloridothioates1 and oxazaphosphorinanes2 from sulfenyl chlorides and a chiral amino alcohol, respectively.

REFERENCES

• Key reagent for the phosphite coupling method of oligonucleotide synthesis: Tetrahedron Lett., 1859 (1981).