phosphoroyl trichloride

• ChemBase ID: 128966
• Molecular Formular: Cl3OP
• Molecular Mass: 153.332161
• Monoisotopic Mass: 151.87523429
• SMILES: O=P(Cl)(Cl)Cl
• Canonical SMILES: ClP(=O)(Cl)Cl
• InChI: InChI=1S/Cl3OP/c1-5(2,3)4
• InChIKey: XHXFXVLFKHQFAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoroyl trichloride
• IUPAC Traditional name: phosphorus oxychloride
• Synonyms: Phosphorus oxychloride; Phosphoric trichloride; Phosphoryl chloride; Phosphorus(V) trichloride oxide; Phosphorus(V) oxychloride; Phosphorus(V) oxide chloride; Phosphoryl chloride; 三氯氧化磷(V); 磷酰三氯; 三氯氧磷(V); 三氯氧化磷(V)

Database IDs

• CAS Number: 10025-87-3
• EC Number: 233-046-7
• MDL Number: MFCD00011443
• Merck Index: 147349
• PubChem SID: 162223268; 24852000; 24859264; 24855857; 24887476
• PubChem CID: 24813
• CHEBI ID: 30336
• Chemspider ID: 23198
• Wikipedia Title: Phosphoryl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2760851
• LogD (pH = 7.4): 1.2760851
• Log P: 1.2760851
• Molar Refractivity: 25.367 cm^3
• Polarizability: 10.135536 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Clear, colourless liquid, fumes in moist air; liquid; Liquid
• Melting Point: 1.25 °C(lit.); 1.25 °C (274.4 K); 1.25°C
• Boiling Point: 105.8 °C(lit.); 105.8 °C (379.0 K); 105.8°C
• Density: 1.645; 1.645 g/cm^3, liquid; 1.645 g/mL at 25 °C(lit.)
• Refractive Index: 1.460
• Vapor Pressure: 104 mmHg ( 50 °C); 28 mmHg ( 20 °C)
• Vapor Density: 5.3 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: TH4897000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Harmful (Xn); Highly toxic (T+); Very toxic (T+)
• UN Number: 1810; UN1810
• German water hazard class: 1
• Hazard Class: 6.1; 8
• Packing Group: 2; I
• Risk Statements: 14-22-26-29-35-48/23; 14-22-26-35-48/23; R14, R22, R26, R35, R48/23
• Safety Statements: 7/8-26-36/37/39-45; S1/2, S7/8, S26, S36/37/39, S45
• TSCA Listed: 是
• EU Index: 015-009-00-5
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2

  W
• GHS Hazard statements: H302-H314-H330-H372; H330-H302-H372-H314
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310; P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-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 1810 8/PG 2
• Supplemental Hazard Statements: Contact with water liberates toxic gas., Reacts violently with water.

Product Information

• Purity: ≥98.0%; ≥98.0% (AT); ≥99.0% (AT); ≥99.9999% (metals basis); 99%; 99.0-100.5%; 99.999%; 99.999% (metals basis)
• Grade: puriss. p.a.; purum; ReagentPlus®; SAJ first grade; SAJ special grade; TraceSELECT®
• Cation Traces: Ag: ≤1 μg/kg; Al: ≤1 μg/kg; As: ≤0.005 mg/kg; Au: ≤1 μg/kg; Ba: ≤1 μg/kg; Be: ≤1 μg/kg; Bi: ≤1 μg/kg; Ca: ≤10 mg/kg; Ca: ≤5 μg/kg; Cd: ≤1 μg/kg; Cd: ≤5 mg/kg; Co: ≤1 μg/kg; Co: ≤5 mg/kg; Cr: ≤1 μg/kg; Cr: ≤5 mg/kg; Cs: ≤1 μg/kg; Cu: ≤1 μg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 μg/kg; Ga: ≤1 μg/kg; Hg: ≤0.005 mg/kg; In: ≤1 μg/kg; K: ≤5 μg/kg; K: ≤50 mg/kg; Li: ≤1 μg/kg; Mg: ≤5 mg/kg; Mg: ≤5 μg/kg; Mn: ≤1 μg/kg; Mn: ≤5 mg/kg; Mo: ≤1 μg/kg; Na: ≤5 μg/kg; Na: ≤50 mg/kg; Nb: ≤1 μg/kg; Ni: ≤1 μg/kg; Ni: ≤5 mg/kg; Pb: ≤1 μg/kg; Pb: ≤5 mg/kg; Rb: ≤1 μg/kg; Sn: ≤1 μg/kg; Sr: ≤1 μg/kg; Ti: ≤1 μg/kg; Tl: ≤1 μg/kg; V: ≤1 μg/kg; Zn: ≤5 mg/kg; Zn: ≤5 μg/kg
• Linear Formula: POCl3

DETAILS

Sigma Aldrich - 201170

Packaging
1 kg in glass bottle
5, 250 g in glass bottle
View returnable container options.
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 320455

Packaging
1 L in PVC coated
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 262099

Packaging
10, 50, 100 g in ampule
Application
High purity POCl3 is used as an n-type dopant in the semiconductor industry in applications such as solar cell fabrication.

Sigma Aldrich - 79582

Packaging
25, 100 mL in glass bottle

Sigma Aldrich - 18498

Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 79580

Caution
may contain precipitate