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SDF/Mol File of TETRACHLOROETHYLENE (C2Cl4)

Identification of TETRACHLOROETHYLENE Chemical Compound

2D chemical structure image of TETRACHLOROETHYLENE
Chemical Formula C2Cl4
Molecular Weight 165.8322 g/mol
IUPAC Name 1,1,2,2-tetrachloroethene
SMILES String ClC(Cl)=C(Cl)Cl
InChI InChI=1S/C2Cl4/c3-1(4)2(5)6
InChIKey CYTYCFOTNPOANT-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of TETRACHLOROETHYLENE is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of TETRACHLOROETHYLENE molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of TETRACHLOROETHYLENE
Ball-and-stick model of TETRACHLOROETHYLENE

chemical table area

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Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying TETRACHLOROETHYLENE Molecule

  • Chemical structure of TETRACHLOROETHYLENE

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of TETRACHLOROETHYLENE is available in chemical structure page of TETRACHLOROETHYLENE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of TETRACHLOROETHYLENE

    The molecular weight of TETRACHLOROETHYLENE is available in molecular weight page of TETRACHLOROETHYLENE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of TETRACHLOROETHYLENE

    The chemical formula of TETRACHLOROETHYLENE is given in chemical formula page of TETRACHLOROETHYLENE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of TETRACHLOROETHYLENE

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of TETRACHLOROETHYLENE is:

    InChI=1S/C2Cl4/c3-1(4)2(5)6

    It can provide a standard way to encode the molecular information of TETRACHLOROETHYLENE to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of TETRACHLOROETHYLENE is:

    InChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for TETRACHLOROETHYLENE, but it needs to be linked to the full InChI to get back to the original structure of the TETRACHLOROETHYLENE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of TETRACHLOROETHYLENE

    The TETRACHLOROETHYLENE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of TETRACHLOROETHYLENE including the registry numbers are listed below, if available:

    • C-24231
    • BBV-266486
    • Density Standard 1623 kg/m3, H&D Fitzgerald Ltd. Quality
    • Tetrachloroethylene, Ultrapure, Spectrophotometric Grade
    • F0001-0391
    • BRD-K68386748-001-01-2
    • Tetrachloroethylene, UV HPLC spectroscopic, 99.9%
    • J-524851
    • I14-6703
    • Tetrachloroethylene, SAJ special grade, >=99.0%
    • A805656
    • Tetrachloroethylene, SAJ first grade, >=98.0%
    • F 1110
    • EN300-19890
    • Tetrachloroethylene, ACS reagent, >=99.0%
    • S0641
    • Tetrachloroethylene, for synthesis, 99.0%
    • Tetrachloroethylene, ReagentPlus(R), 99%
    • Tetrachloroethylene, for HPLC, >=99.9%
    • Tetrachloroethylene [UN1897] [Poison]
    • CAS-127-18-4
    • Tetrachloroethylene [UN1897] [Poison]
    • Tetrachloroethylene, anhydrous, >=99%
    • Tetrachloroethylene, analytical standard
    • RTR-003923
    • ANW-42303
    • 1,1,2,2-tetrakis(chloranyl)ethene
    • Tetrachloroethylene, 99% 100ml
    • Tetrachloroethylene, >=99.5%
    • Perchloroethylene Reagent Grade
    • 1,1,2,2-tetrachloro-ethene
    • BIDD:ER0346
    • TJ904HH8SN
    • 1,2,2-Tetrachloroethylene
    • bmse000633
    • Freon 1110
    • Perclene TG
    • Tetrochloroethane
    • perawi n
    • Perchlorothylene
    • Dowper
    • MFCD00000834
    • Ethene, 1,1,2,2-tetrachloro-
    • EPA Pesticide Chemical Code 078501
    • RCRA waste no. U210
    • Perchlorethylene, per [French]
    • Perchloraethylen, per [German]
    • Perchloorethyleen, per [Dutch]
    • UN 1897
    • Tetrachloroethylene (IUPAC)
    • Czterochloroetylen [Polish]
    • Nema, veterinary
    • Tetracloroetene [Italian]
    • Tetrachloraethen [German]
    • Tetrachlooretheen [Dutch]
    • Percloroetilene [Italian]
    • C2Cl4
    • Perchloroethene
    • ENT 1,860
    • Caswell No. 827
    • Rcra waste number U210
    • Antisal 1
    • Percosolv
    • Antisol 1
    • Dilatin PT
    • Dow-per
    • Perclene D
    • Perchloorethyleen, per
    • Perchlorethylene, per
    • Perchloraethylen, per
    • Nema
    • Tetroguer
    • Tetravec
    • Perklone
    • Percosolve
    • Perchlor
    • Ethylene, tetrachloro-
    • Czterochloroetylen
    • Tetrachlooretheen
    • 1,1,2,2-Tetrachloroethylene
    • Tetracloroetene
    • Percloroetilene
    • Fedal-UN
    • PERK
    • Carbon dichloride
    • Carbon bichloride
    • PerSec
    • Tetrachloraethen
    • Tetlen
    • Perawin
    • Tetropil
    • Tetralex
    • Tetraleno
    • Tetraguer
    • Tetracap
    • Perclene
    • Didakene
    • Ankilostin
    • Ethylene tetrachloride
    • Tetrachlorethylene
    • Ethene, tetrachloro-
    • Perc
    • Perchlorethylene
    • 127-18-4
    • Perchloroethylene
    • Tetrachloroethene
    • TETRACHLOROETHYLENE

TETRACHLOROETHYLENE Identification Summary Frequently Asked Questions (FAQs)

What’s the TETRACHLOROETHYLENE formula?
C2Cl4
How many atoms and what elements are included in the TETRACHLOROETHYLENE molecule?
6 atom(s) - 2 Carbon atom(s) and 4 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the TETRACHLOROETHYLENE structure?
5 bond(s) - 5 non-H bond(s), 1 multiple bond(s), and 1 double bond(s)
What’s the TETRACHLOROETHYLENE’s molar mass?
165.8322 g/mol
What’s the SMILES structure of TETRACHLOROETHYLENE?
ClC(Cl)=C(Cl)Cl
What’s the InChI code of TETRACHLOROETHYLENE?
InChI=1S/C2Cl4/c3-1(4)2(5)6
What’s the InChIKey format of TETRACHLOROETHYLENE?
CYTYCFOTNPOANT-UHFFFAOYSA-N

527 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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