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127-18-4 molecular structure
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tetrachloroethene

ChemBase ID: 106225
Molecular Formular: C2Cl4
Molecular Mass: 165.8334
Monoisotopic Mass: 163.87541072
SMILES and InChIs

SMILES:
ClC(=C(Cl)Cl)Cl
Canonical SMILES:
ClC(=C(Cl)Cl)Cl
InChI:
InChI=1S/C2Cl4/c3-1(4)2(5)6
InChIKey:
CYTYCFOTNPOANT-UHFFFAOYSA-N

Cite this record

CBID:106225 http://www.chembase.cn/molecule-106225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrachloroethene
IUPAC Traditional name
perchloroethylene
PERK
Synonyms
Tetrachloroethylene
Perklone
Tetrachloroethylene, Ultrapure, Spectrophotometric Grade
TETRACHLOROETHYLENE, ACS GRADE
TETRACHLOROETHYLENE, HPLC/SPECTRO GRADE
Perchloroethene
Perchloroethylene
Perc
PCE
Tetrachloroethylene
Tetrachloroethylene
Density Standard 1623 kg/m3
全氯乙烯
四氯乙烯
四氯乙烯, 超纯, 光谱级
四氯乙烯
密度标准品 1623kg/m3
CAS Number
127-18-4
EC Number
204-825-9
MDL Number
MFCD00000834
Beilstein Number
1361721
Merck Index
149190
PubChem SID
24863125
24849322
24872121
24845352
24856372
162087299
24868076
PubChem CID
31373
CHEBI ID
17300
CHEMBL
114062
Chemspider ID
13837281
KEGG ID
C06789
Unique Ingredient Identifier
TJ904HH8SN
Wikipedia Title
Tetrachloroethylene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6154656  LogD (pH = 7.4) 2.6154656 
Log P 2.6154656  Molar Refractivity 50.775 cm3
Polarizability 11.909631 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.015 g/100 mL (20 °C) in water expand Show data source
Apperance
APHA: ≤10 expand Show data source
Clear, colorless liquid expand Show data source
Liquid expand Show data source
Melting Point
-19°C expand Show data source
-22 °C(lit.) expand Show data source
-22°C expand Show data source
-23 - -22°C expand Show data source
Boiling Point
120-121°C expand Show data source
121 °C expand Show data source
121 °C(lit.) expand Show data source
121.1°C expand Show data source
Flash Point
Not flammable expand Show data source
Density
1.622 g/cm3 expand Show data source
1.623 expand Show data source
1.623 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5055 expand Show data source
n20/D 1.505 expand Show data source
n20/D 1.505(lit.) expand Show data source
n20/D 1.506 expand Show data source
Vapor Pressure
13 mmHg ( 20 °C) expand Show data source
19 mmHg ( 25 °C) expand Show data source
Vapor Density
5.83 (vs air) expand Show data source
Absorption Wavelength
λ: 290 nm Amax: 1.0 expand Show data source
λ: 290 nm Amax: 1.00 expand Show data source
λ: 295 nm Amax: 0.30 expand Show data source
λ: 300 nm Amax: ≤0.20 expand Show data source
λ: 305 nm Amax: 0.1 expand Show data source
λ: 305 nm Amax: 0.10 expand Show data source
λ: 350 nm Amax: 0.05 expand Show data source
λ: 400 nm Amax: 0.03 expand Show data source
Hydrophobicity(logP)
3.48 expand Show data source
Viscosity
0.89 cP at 25 °C expand Show data source
RTECS
KX3850000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1897 expand Show data source
UN1897 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
40-51/53 expand Show data source
R40 R51/53 expand Show data source
Safety Statements
23-36/37-61 expand Show data source
S23 S36/37 S61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
Harmful (Xn),
Dangerous for
the environment (N)
expand Show data source
NFPA704
NFPA 704 diagram
0
2
0
expand Show data source
GHS Hazard statements
H315-H351-H411 expand Show data source
H351-H303-H333-H401-H411 expand Show data source
H351-H411 expand Show data source
GHS Precautionary statements
P273-P281 expand Show data source
P281-P273-P304+P312-P312-P405-P501A expand Show data source
P281-P273-P308+P313-P391-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1897 6.1/PG 3 expand Show data source
Purity
≥98.0% expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
≥99.9% expand Show data source
≥99.9% (GC) expand Show data source
95% expand Show data source
99% expand Show data source
99+% expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
ACS spectrophotometric grade expand Show data source
analytical standard expand Show data source
anhydrous expand Show data source
CHROMASOLV® expand Show data source
for HPLC expand Show data source
H&D Fitzgerald Ltd. Quality expand Show data source
HPLC expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
SAJ special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 5000 mg expand Show data source
Evaporation Residue
<0.0005% expand Show data source
≤0.0005% expand Show data source
≤0.001% expand Show data source
Impurities
<0.002% water expand Show data source
<0.005% water(100 mL pkg) expand Show data source
<0.050% water expand Show data source
≤0.05% water expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Purified By
glass distillation expand Show data source
λ
1 cm path, H2O reference expand Show data source
H2O reference expand Show data source
Linear Formula
CCl2=CCl2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T7500 external link
Biochem/physiol Actions
Animal carcinogen that produces increased incidence of renal adenomas, adenocarcinomas, mononuclear cell leukemia, and hepatocellular tumors.
Packaging
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 154997 external link
Packaging
1, 2 L in glass bottle
Sigma Aldrich - 270393 external link
Packaging
1, 2 L in glass bottle
100 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 443786 external link
Packaging
1, 2, 2.5 L in glass bottle
Sigma Aldrich - 371696 external link
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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