dichloro(phenyl)phosphane

• ChemBase ID: 79364
• Molecular Formular: C6H5Cl2P
• Molecular Mass: 178.983661
• Monoisotopic Mass: 177.95059215
• SMILES: P(c1ccccc1)(Cl)Cl
• Canonical SMILES: ClP(c1ccccc1)Cl
• InChI: InChI=1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
• InChIKey: IMDXZWRLUZPMDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(phenyl)phosphane
• IUPAC Traditional name: dichlorophenylphosphine
• Synonyms: Phenylphosphine dichloride; Dichlorophenylphosphine 97%; Dichlorophenylphosphane; Phenylphosphorus dichloride; Dichlorophenylphosphine; Dichlorophenylphosphine; PhPCl2; Phenyldichlorophosphine; Phenylphosphonous dichloride; P,P-Dichlorophenylphosphine; 二氯苯基膦; 苯基二氯化磷; P,P-二氯苯基膦

Database IDs

• CAS Number: 644-97-3
• EC Number: 211-425-8
• MDL Number: MFCD00000528
• Beilstein Number: 508189
• PubChem SID: 162044127; 24894089; 24862308
• PubChem CID: 12573
• Chemspider ID: 12053
• Wikipedia Title: Dichlorophenylphosphine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1712
• LogD (pH = 7.4): 3.1712
• Log P: 3.1712
• Molar Refractivity: 42.9469 cm^3
• Polarizability: 16.742199 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water; miscible in benzene, CS₂, chloroform
• Apperance: colorless liquid
• Melting Point: -51 °C(lit.); -51°C; -51°C
• Boiling Point: 222 °C/759 mmHg(lit.); 222°C; 99-101°C/11mm
• Flash Point: 101 °C; 102°C(215°F); 113 °C; 235.4 °F
• Auto Ignition Point: 159 °C
• Density: 1.319; 1.319 g/mL at 25 °C(lit.); 1.3190 g/mL
• Refractive Index: 1.5980; 1.6030; n20/D 1.597; n20/D 1.597(lit.)
• Odor: acrid, pungent

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: TB2478000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2845; UN2798
• German water hazard class: 3
• Hazard Class: 4.2; 8
• Packing Group: 1; II
• Risk Statements: 17-25-34; 25-34
• Safety Statements: 26-28-36/37/39-43-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  0
• LD50: 200 mg/kg (oral, rat)
• GHS Hazard statements: H250-H301-H314; H300-H314-H318
• GHS Precautionary statements: P222-P231-P280-P301 + P310-P305 + P351 + P338-P422; P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• 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

Product Information

• Purity: ≥98.0% (AT); 97%
• Grade: technical
• Linear Formula: C6H5PCl2

DETAILS

Sigma Aldrich - D71984

Packaging
1 kg in glass bottle
100, 500 g in Sure/Seal™
5 g in glass bottle

REFERENCES

• Reacts with chlorine to give phenylphosphorus tetrachloride, which, with unactivated phenols at moderately elevated temperatures, gives aryl chlorides: J. Org. Chem., 55, 3415 (1990).