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Phosphorus pentachloride

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Name

Phosphorus pentachloride

EINECS 233-060-3
CAS No. 10026-13-8 Density 1.6 g/cm3
PSA 13.59000 LogP 4.30870
Solubility decomposes in water Melting Point 179-181 °C (subl.)
Formula PCl5 Boiling Point 160 °C
Molecular Weight 208.239 Flash Point none
Transport Information UN 1806 8/PG 2 Appearance Yellowish crystalline powder and scales
Safety 26-36/37/39-45-7/8 Risk Codes 14-22-26-34-48/20
Molecular Structure Molecular Structure of 10026-13-8 (Phosphorus pentachloride) Hazard Symbols VeryT+
Synonyms

Phosphoruschloride (PCl5) (8CI);Pentachlorophosphorane;Pentachlorophosphorus;Phosphoric chloride;Phosphorus perchloride;Phosphorus(V) chloride;

Article Data 188

Phosphorus pentachloride Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Phosphorus pentachloride Standards and Recommendations

OSHA PEL: TWA 1 mg/m3
ACGIH TLV: TWA 0.85 mg/m3
DFG MAK: 1 mg/m3
DOT Classification:  8; Label: Corrosive

Phosphorus pentachloride Specification

The Phosphorus pentachloride, with the CAS registry number 10026-13-8, is also known as Phosphorane, pentachloro-. It belongs to the product category of Inorganics. Its EINECS registry number is 233-060-3. This chemical's molecular formula is PCl5 and molecular weight is 208.238761. Its IUPAC name is called pentachloro-λ5-phosphane. This chemical's superlist classification codes are TWA (0.1 ppm); TWA 1 mg/m3; Threshold Planning Quantity (TPQ) = 500 lb.

Physical properties of Phosphorus pentachloride: (1)XLogP3-AA: 3.9; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 0; (4)Rotatable Bond Count: 0; (5)Exact Mass: 207.815075; (6)MonoIsotopic Mass: 205.818025; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 6; (9)Formal Charge: 0; (10)Complexity: 37.1; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

Preparation of Phosphorus pentachloride: PCl5 is prepared by the chlorination of PCl3. This reaction was used to produce ca. 10,000,000 kg of PCl5 in 2000. PCl5 exists in equilibrium with PCl3 and chlorine, and at 180 °C the degree of dissociation is ca. 40%. Because of this equilibrium, samples of PCl5 often contain chlorine, which imparts a greenish colouration.

Phosphorus pentachloride is prepared by the chlorination of PCl3

Uses of Phosphorus pentachloride: In its most characteristic reaction, PCl5 react upon contact with water to release hydrogen chloride and give phosphorus oxides. PCl5 is most often used for chlorinations of organic and inorganic compounds. The first hydrolysis product is phosphorus oxychloride:

PCl5 + H2O → POCl3 + 2 HCl

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic. It is harmful if swallowed and is very toxic by inhalation. In addition, it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: P(Cl)(Cl)(Cl)(Cl)Cl
(2)InChI: InChI=1S/Cl5P/c1-6(2,3,4)5
(3)InChIKey: UHZYTMXLRWXGPK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 205mg/m3 (205mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 105, 1973.
rat LD50 oral 660mg/kg (660mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 104, 1973.

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