dichloro(ethyl)phosphane

• ChemBase ID: 137605
• Molecular Formular: C2H5Cl2P
• Molecular Mass: 130.940861
• Monoisotopic Mass: 129.95059215
• SMILES: CCP(Cl)Cl
• Canonical SMILES: CCP(Cl)Cl
• InChI: InChI=1S/C2H5Cl2P/c1-2-5(3)4/h2H2,1H3
• InChIKey: JHNJGLVSPIMBLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(ethyl)phosphane
• IUPAC Traditional name: phosphonous dichloride, ethyl-
• Synonyms: Ethylphosphorous dichloride; Ethyldichlorophosphine; Dichloroethylphosphine; 乙基二氯化磷; 二氯化乙膦

Database IDs

• CAS Number: 1498-40-4
• EC Number: 216-096-4
• MDL Number: MFCD00013617
• PubChem SID: 162231867; 24860432
• PubChem CID: 15157

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7028
• LogD (pH = 7.4): 1.7028
• Log P: 1.7028
• Molar Refractivity: 28.0839 cm^3
• Polarizability: 10.9360485 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112 °C(lit.)
• Flash Point: 33 °C; 91.4 °F
• Density: 1.26 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.495(lit.)

Safety Information

• RTECS: TB2465000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14-17-34
• Safety Statements: 6-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 95%
• Linear Formula: C2H5PCl2

DETAILS

Sigma Aldrich - 336858

Packaging
5, 25 g in glass bottle
Application
Catalyst in palladium-catalyzed Suzuki-Miyaura cross-coupling1