diphenylphosphinoyl chloride

• ChemBase ID: 92728
• Molecular Formular: C12H10ClOP
• Molecular Mass: 236.633961
• Monoisotopic Mass: 236.01577925
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)Cl
• Canonical SMILES: ClP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: QPQGTZMAQRXCJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylphosphinoyl chloride
• IUPAC Traditional name: diphenylphosphinoyl chloride
• Synonyms: Diphenylchlorophosphine oxide; Diphenylphosphinic acid chloride; Diphenylphosphinoyl chloride; Diphenylphosphinyl chloride; Diphenylphosphorus oxychloride; Ph2POCl; Diphenylphosphinic chloride; Bis(phenyl)chlorophosphine oxide; Bis(phenyl)phosphinic chloride; DPP-Cl; Chlorodiphenylphosphine oxide; DIPHENYLPHOSPHINYL CHLORIDE; Diphenylphosphinic chloride; diphenylphosphinoyl chloride; 氯二苯基膦氧化物; 二苯基次膦酰氯; 二苯基膦酰氯

Database IDs

• CAS Number: 1499-21-4
• EC Number: 216-107-2
• MDL Number: MFCD00002077
• Beilstein Number: 975191
• PubChem SID: 24853787; 162079426
• PubChem CID: 73910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7875
• LogD (pH = 7.4): 3.7875
• Log P: 3.7875
• Molar Refractivity: 63.7278 cm^3
• Polarizability: 25.180061 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 20°C
• Boiling Point: 210-212°C/8mm; 222 °C/16 mmHg(lit.); 222°C/16mm
• Flash Point: >110°C(230°F); 26 °C; 26°C; 78.8 °F
• Density: 1.24 g/mL at 25 °C(lit.); 1.242
• Refractive Index: 1.6090; n20/D 1.609(lit.); n20/D 1.612
• Hydrophobicity(logP): 1.965

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Corrosive/Flammable/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34; 34; R:34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• EU Hazard Identification Number: 10
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (AT); 95%; 95+%; 97+%; 98%
• Grade: purum
• Linear Formula: (C6H5)2P(O)Cl

DETAILS

MP Biomedicals - 02150978

A useful peptide coupling agent.

Sigma Aldrich - 230235

Packaging
10, 50 g in glass bottle
Application
Reagent employed in the synthesis of bidentate ligands1 and peptide coupling agents.2