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| CAS No.: | 10026-13-8 |
|---|---|
| Name: | Phosphorus pentachloride |
| Article Data: | 188 |
| Molecular Structure: | |
|
|
|
| Formula: | PCl5 |
| Molecular Weight: | 208.239 |
| Synonyms: | Phosphoruschloride (PCl5) (8CI);Pentachlorophosphorane;Pentachlorophosphorus;Phosphoric chloride;Phosphorus perchloride;Phosphorus(V) chloride; |
| EINECS: | 233-060-3 |
| Density: | 1.6 g/cm3 |
| Melting Point: | 179-181 °C (subl.) |
| Boiling Point: | 160 °C |
| Flash Point: | none |
| Solubility: | decomposes in water |
| Appearance: | Yellowish crystalline powder and scales |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 14-22-26-34-48/20 |
| Safety: | 26-36/37/39-45-7/8 |
| Transport Information: | UN 1806 8/PG 2 |
| PSA: | 13.59000 |
| LogP: | 4.30870 |
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Standards and Recommendations
ACGIH TLV: TWA 0.85 mg/m3
DFG MAK: 1 mg/m3
DOT Classification: 8; Label: Corrosive
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.
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. |