PERCHLOROETHYLENE CAS#: 127-18-4; ChemWhat Code: 1411707

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NamePERCHLOROETHYLENE
IUPAC Name 1,1,2,2-tetrachloroethene  
Molecular Structurestructure of PERCHLOROETHYLENE CAS 127-18-4
CAS Registry Number 127-18-4
EINECS Number204-825-9
MDL NumberMFCD00000834
SynonymsTETRACHLOROETHYLENE
Tetrachloroethene
127-18-4
Perchlorethylene
1,1,2,2-Tetrachloroethylene
Ethylene tetrachloride
Carbon dichloride
Tetrachloraethen
Perchloorethyleen, per
Ethylene, tetrachloro-
Perchloroethene
Rcra waste number U210
Percloroetilene [Italian]
Perclene TG
Czterochloroetylen [Polish]
Tetrachloroethylene (IUPAC)
Perchloorethyleen, per [Dutch]
EINECS 204-825-9
Tetrachloroethylene [USP]
RCRA waste no. U210
UNII-TJ904HH8SN
EPA Pesticide Chemical Code 078501
BRN 1361721
TJ904HH8SN
TETRACHLOROETHYLENE-1-13C
NSC-9777
EC 204-825-9
4-01-00-00715 (Beilstein Handbook Reference)
MFCD00000834
25135-99-3
Tetrachloroethene 100 microg/mL in Methanol
Nema (VAN)
WLN: GYGUYGG
TTE (CHRIS Code)
Freon 1110
Tetrachlooretheen(DUTCH)
Tetrachloraethen(GERMAN)
bmse000633
Czterochloroetylen(POLISH)
1,2,2-Tetrachloroethylene
C2-Cl4
SCHEMBL23022
BIDD:ER0346
1,1,2,2-tetrachloro-ethene
Perchloorethyleen, per(DUTCH)
Perchloraethylen, per(GERMAN)
Perchlorethylene, per(FRENCH)
Perchloroethylene Reagent Grade
1,1,2, 2-Tetrachloroethylene
Tetrachloroethylene, >=99.5%
Eteno, 1,1,2,2-tetracloro-
TETRACHLOROETHYLENE [HSDB]
Tetrachloroethylene, UV/IR-Grade
Ethene, 1,1,2,2-tetrachloro-
TETRACHLOROETHYLENE [MART.]
perchloroethylene (tetrachloroethylene)
Tetrachloroethylene, anhydrous, >=99%
Tetrachoroethylene; see Perchloroethylene
CAS-127-18-4
Perchloroethylene; (Tetrachloroethylene)
Tetrachloroethylene [UN1897] [Poison]
Tetrachloroethylene, for HPLC, >=99.9%
Tetrachloroethylene, ReagentPlus(R), 99%
Tetrachloroethylene, for synthesis, 99.0%
Tetrachloroethylene, ACS reagent, >=99.0%
EN300-19890
Tetrachloroethene 1000 microg/mL in Methanol
Tetrachloroethene 5000 microg/mL in Methanol
1,1,2,2-Tetrachloroethylene (ACD/Name 4.0)
Tetrachloroethylene, SAJ first grade, >=98.0%
Tetrachloroethylene, SAJ special grade, >=99.0%
Tetrachloroethylene, UV HPLC spectroscopic, 99.9%
TETRACHLOROETHYLENE (PERCHLOROETHYLENE)
Tetrachloroethylene, Ultrapure, Spectrophotometric Grade
Molecular FormulaC2Cl4
Molecular Weight165.8
InChIInChI=1S/C2Cl4/c3-1(4)2(5)6  
InChI KeyCYTYCFOTNPOANT-UHFFFAOYSA-N  
Canonical SMILESC(=C(Cl)Cl)(Cl)Cl  
Patent Information
Patent IDTitlePublication Date
CN111454122Method for eliminating hydrogen chloride by catalytic cracking of chloralkane2020
WO2014/62255METHOD OF PREPARING HALOGENATED SILAHYDROCARBYLENES2014
WO2010/45104PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES2010
US6362383Hydro-fluorination of chlorinated hydrocarbons2002

Physical Data

AppearanceColorless, clear and no mechanical impurities
Melting Point, °C Comment (Melting Point)
13.5Mol(s) H2O
-22.35
-22.18
-23.5
-19
Boiling Point, °CPressure (Boiling Point), Torr
72 – 73160
122
55150.015
121.1
121.1
121760.051
121
Density, g·cm-3Measurement Temperature, °C
1.6127326
1.622720
1.6144924.99
1.6224.84
1.614824.99
Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Enthalpy of adsorptiongaseous matrixcalcined ordered mesoporous silica MCM-41
Adsorption isothermgaseous matrix86.84calcined ordered mesoporous silica MCM-41
Adsorption and desorption isotherms24.84calcined ordered mesoporous silica MCM-41
Adsorption and desorption isotherms24.84Cr3+-exchanged natural clinoptilolite from Ukraine
Enthalpy of adsorptiongaseous matrixCr3+-exchanged natural clinoptilolite from Ukraine

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts13Ctetrahydrofuran-d8
Spectrum13C
Chemical shifts13C75.5
CIDNP13C
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °C
Spectrum
Bandssolid matrix-269.16
Bandssolid Ar-261.15
Spectrumnujol
Reflection spectrum
Spectrum24.85
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1
Spectrumhexaneconcentration dependence
Spectrumgas190 – 290 nm
Absorption maximavarious solvent(s)258.515488.1
Absorption maximaethyl acetate25915136
Absorption maximadioxane259.59550

Route of Synthesis (ROS)

Route of Synthesis (ROS) of PERCHLOROETHYLENE CAS 127-18-4

ConditionsYield
With hydrogen fluoride; chlorine; antimony pentafluoride at 126 – 148℃; under 17251.7 – 20252 Torr; for 7.1h;51.5%
44%
With hydrogen fluoride; antimony pentafluoride at 145 – 148℃; under 19126.9 Torr; for 4.6h;27.7%
39.8%
With hydrogen fluoride; antimony pentafluoride at 106 – 147℃; under 16126.6 – 18001.8 Torr; for 5.3h;

Experimental Procedure
Example 4 (comparative) In this experiment, the same catalyst and apparatus as the previous experiment were used. A series of reactions were carried out in the autoclave using the same catalyst. Catalyst fluorination : Antimony pentachloride was added to the autoclave and the autoclave was sealed. Anhydrous hydrogen fluoride (192.8g, 9.64m) was then added in aliquots, venting through the scrubber chain, as required. The autoclave was then heated over 4 hours to 117C and allowed to cool. Run 1: Perchloroethylene (59.8g, 0.361m) was charged to the autoclave. The autoclave was then heated to 106C over 2 hours and the pressure rose to 2.4 MPa (23.0 barg). Venting was then commenced through the scrubber chain. The autoclave was then further heated to 141C over 3.3 hours, while the pressure was maintained between 2.15-2.40 MPa (20.5-23.0 barg).
21.1%
30.5%

Safety and Hazards

Pictogram(s)health-hazardenvironment
SignalWarning
GHS Hazard StatementsH351: Suspected of causing cancer [Warning Carcinogenicity]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP203, P273, P280, P318, P391, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from light
HS Code
StorageUnder room temperature away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
Molecular Weight165.834
logP3.026
HBA0
HBD0
Matching Lipinski Rules4
Polar Surface Area (PSA)0
Rotatable Bond (RotB)0
Matching Veber Rules2
Quantitative Results
1 of 262Comment (Pharmacological Data)Bioactivities present
ReferenceProcess for the preparation of dibenzothiepin derivative
2 of 262Comment (Pharmacological Data)Bioactivities present
Reference
3 of 262Comment (Pharmacological Data)Bioactivities present
ReferenceProcess for the production of polyfunctional cyanic acid esters
4 of 262Comment (Pharmacological Data)Bioactivities present
ReferencePROCESS FOR PURIFYING PENTAFLUOROETHANE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
5 of 262Comment (Pharmacological Data)Bioactivities present
ReferenceAntifungal paints and coatings
Use Pattern
PERCHLOROETHYLENE CAS#: 127-18-4 can be usde in metal sur face cleaning,clothes dry cleaning,fossil fuel extracting ,medicine producing ,organic synthesizi ng,and oil,rubber,resin alkaloids,wax dissolving.

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