chlorodiphenylphosphane

• ChemBase ID: 79354
• Molecular Formular: C12H10ClP
• Molecular Mass: 220.634561
• Monoisotopic Mass: 220.02086463
• SMILES: P(c1ccccc1)(c1ccccc1)Cl
• Canonical SMILES: ClP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: XGRJZXREYAXTGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodiphenylphosphane
• IUPAC Traditional name: chlorodiphenylphosphine
• Synonyms: Diphenylphosphinous chloride; Chlorodiphenylphosphine; P-Chlorodiphenylphosphine; ClPPh2; PPh2Cl; Chlorodiphenylphosphine; Diphenyl chlorophosphine; CHLORODIPHENYLPHOSPINE; chlorodiphenylphosphine; p-chlorodiphenylphosphine; diphenyl phosphine chloride; diphenylchlorophosphine; P-氯代二苯基膦; P-氯代二苯基膦; 二苯基氯化膦; 氯代二苯基膦; 二苯基氯化膦

Database IDs

• CAS Number: 1079-66-9
• EC Number: 214-093-2
• MDL Number: MFCD00000529
• Beilstein Number: 512032
• PubChem SID: 24854711; 162044117; 24892660
• PubChem CID: 66180
• Chemspider ID: 59567
• Wikipedia Title: Chlorodiphenylphosphine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1389
• LogD (pH = 7.4): 4.1389
• Log P: 4.1389
• Molar Refractivity: 62.2849 cm^3
• Polarizability: 24.455183 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: clear to light yellow liquid; Liquid
• Melting Point: 14-16°C
• Boiling Point: 318-321°C; 320 ?C; 320 °C(lit.); 320°C
• Flash Point: 112 °C; 112°C; 138°C(280°F); 233.6 °F
• Density: 1.194 g/mL at 25 °C; 1.204; 1.229; 1.229 g cm^-3; 1.229 g/mL at 25 °C(lit.)
• Refractive Index: 1.6350; 1.636; 1.6360; n20/D 1.636(lit.)
• Vapor Density: 7.8 (vs air)

Safety Information

• Storage Warning: Air & Moisture Sensitive; Corrosive/Harmful/Lachrymatory/Air Sensitive/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-22-34; 14-34; R:34-36/37/38
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P303+P361+P353-P305+P351+P338-P310-P402; 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: ≥95.0% (GC); 96%; 97%; 98+%
• Grade: purum
• Linear Formula: (C6H5)2PCl

DETAILS

MP Biomedicals - 05213832

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C39601

Application
Precursors used in the synthesis of various phosphines.
Used to introduce the diphenylphosphinyl moiety by aryl ortho-lithiation.
Packaging
25, 100, 500 g in glass bottle

Sigma Aldrich - 24485

Caution
may become turbid on storage

REFERENCES

• Reacts with Li metal in liquid ammonia to give the Li diphenylphosphide: Tetrahedron Lett., 21, 3535 (1980). Reaction with vinyl lithium intermediates from the reaction of alkyllithiums with sulfonylhydrazones (see p-Toluenesulfonyl hydrazide, A13529) gives vinylphosphines: Tetrahedron Lett., 22, 4619 (1981).