chlorobis(furan-2-yl)phosphane

• ChemBase ID: 142529
• Molecular Formular: C8H6ClO2P
• Molecular Mass: 200.558801
• Monoisotopic Mass: 199.97939374
• SMILES: c1cc(oc1)P(c1ccco1)Cl
• Canonical SMILES: ClP(c1ccco1)c1ccco1
• InChI: InChI=1S/C8H6ClO2P/c9-12(7-3-1-5-10-7)8-4-2-6-11-8/h1-6H
• InChIKey: IYEUYNXDXNWPJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(furan-2-yl)phosphane
• IUPAC Traditional name: chlorobis(furan-2-yl)phosphane
• Synonyms: Di-2-furanylphosphinous chloride; Bis(2-furyl)phosphine chloride; Di(2-furyl)chlorophosphine; Chlorodi(2-furyl)phosphine; 双(2-呋喃基)氯化膦; 二(2-呋喃)氯化膦

Database IDs

• CAS Number: 181257-35-2
• MDL Number: MFCD01630851
• PubChem SID: 162236757
• PubChem CID: 5104771

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3927
• LogD (pH = 7.4): 2.3927
• Log P: 2.3927
• Molar Refractivity: 45.8183 cm^3
• Polarizability: 18.285776 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-104°C/14mm
• Flash Point: >110 °C; >230 °F
• Density: 1.287 g/mL at 25 °C
• Refractive Index: 1.5930; n20/D 1.593

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3129; UN3265
• German water hazard class: 3
• Hazard Class: 4.3; 8
• Packing Group: 2; II
• Risk Statements: 14-34; 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314; H314-H318
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• RID/ADR: UN 3129 4.3/PG 2

Product Information

• Purity: 85%; 98+%
• Empirical Formula (Hill Notation): C8H6ClO2P

DETAILS

Sigma Aldrich - 710369

Packaging
2 g in glass bottle
Application
Reactant for synthesis of:
• Centrostereogenic 1,3-bidentate ferrocenyldiphosphane ligands1
• Ferrocene-based chiral diphosphine2
• Phosphine containing amino acids3Reactant for:
• α-Arylation of aldehydes4
• Stereoselective [2,3] sigmatropic rearrangement of acyclic allylic phosphinites5
• Hydrophosphination of functionalized alkenes6