SDF/Mol File of TEPP (C8H20O7P2)
Identification of TEPP Chemical Compound
Chemical Formula | C8H20O7P2 |
---|---|
Molecular Weight | 290.18772 g/mol |
IUPAC Name | diethyl [(diethoxyphosphoryl)oxy]phosphonate |
SMILES String | CCOP(=O)(OCC)OP(=O)(OCC)OCC |
InChI | InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3 |
InChIKey | IDCBOTIENDVCBQ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of TEPP 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 TEPP 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying TEPP Molecule
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Chemical structure of TEPP
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of TEPP is available in chemical structure page of TEPP, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of TEPP
The molecular weight of TEPP is available in molecular weight page of TEPP, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of TEPP
The chemical formula of TEPP is given in chemical formula page of TEPP, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of TEPP
An alternative way of expressing structural information in text format is InChI. The full standard InChI of TEPP is:
InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
It can provide a standard way to encode the molecular information of TEPP 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 TEPP is:
InChIKey=IDCBOTIENDVCBQ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for TEPP, but it needs to be linked to the full InChI to get back to the original structure of the TEPP since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of TEPP
The TEPP compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of TEPP including the registry numbers are listed below, if available:
- AR-1L5945
- O,O,O-Tetraaethyl-diphosphat, bis(O,O-diaethylphosphorsaeure-anhydrid
- Tetraethyl pyrophosphate, solid [NA2783] [Poison]
- Tetraethyl pyrophosphate, liquid [NA3018] [Poison]
- Tetraethyl pyrophosphate, liquid [NA3018] [Poison]
- Pyrophosphoric acid, tetraethyl ester (liquid mixture)
- Tetraethyl pyrophosphate, solid [NA2783] [Poison]
- Pyrophosphoric acid, tetraethyl ester (dry mixture)
- phosphoric acid diethoxyphosphoryl diethyl ester
- Tetraethyl pyrophosphate, analytical standard
- TEPP, PESTANAL(R), analytical standard
- CAS-107-49-3
- Tetraethyl pyrophosphate mixture, liquid
- O,O,O,O-Tetraaethyl-diphosphat, bis(O,O-diaethylphosphorsaeure-anhydrid)
- Tetraethyl pyrophosphate mixture, dry
- Bis[O,O-diethylphosphoric anhydride]
- 8024AF
- 28QKT80KX2
- Tetraethyl pyrophosphate, solid
- Tetraethyl pyrofosfaat(belgian)
- Pyrophosphoric acid tetraethyl
- O,O,O-Tetraetil-pirofosfato
- O,O,O-Tetraethyl-difosfaat
- UN 2783 (Related)
- NA 2783 (Related)
- Tetraaethylpyrophosphorsaeureester
- Tetraethylpyrophosphorsaeureester
- O,O,O,O-Tetraetil-pirofosfato
- O,O,O,O-Tetraethyl-difosfaat
- Tetraethyl pyrofosfaat
- Tetraethylpyrofosfat
- Tetraethyldifosfat
- O,O,O,O-Tetraaethyl-diphosphat, bis(O,O-diaethylphosphorsaeure-anhydrid) [German]
- diethoxyphosphoryl diethyl phosphate
- Tetraethyl pyrophosphate, liquid
- Tetraaethylpyrophosphorsaeureester [German]
- O,O,O,O-Tetraetil-pirofosfato [Italian]
- Tetraethylpyrophosphorsaeureester [German]
- O,O,O,O-Tetraethyl-difosfaat [Dutch]
- EPA Pesticide Chemical Code 079601
- RCRA waste no. P111
- Pyrophosphate de tetraethyle [French]
- Diphosphoric acid tetraethyl ester
- Tetraethyl pyrofosfaat [Belgian]
- Tetraethyl pyrofosfaat [Dutch]
- EA 1285
- Tetraethylpyrofosfat [Czech]
- Pyrophosphoric acid, tetraethyl ester
- Pyrophosphate de tetraethyle
- Bis-O,O-diethylphosphoric anhydride
- Tetraethyldifosfat [Czech]
- TEPP [BSI:ISO]
- ENT 18,771
- Caswell No. 838
- Tetraethylpyrophosphate
- Bladan (VAN)
- Rcra waste number P111
- Ethyl pyrophosphate (Et4P2O7)
- Nifos T
- Diphosphoric acid, tetraethyl ester
- 107-49-3
- Ethyl pyrophosphate, tetra-
- Ethyl pyrophosphate
- Tetron-100
- Killex
- Kilmite 40
- Hexamite
- Lethalaire G-52
- Tetron
- Nifost
- Nifos
- Killax
- Grisol
- Fosvex
- Vapotone
- Mortopal
- Lirohex
- Tetrastigmine
- Hepthexamite
- Tetraethyl diphosphate
- TETRAETHYL PYROPHOSPHATE
- TEPP
TEPP Identification Summary Frequently Asked Questions (FAQs)
What’s the TEPP formula? |
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C8H20O7P2 |
How many atoms and what elements are included in the TEPP molecule? |
37 atom(s) - 20 Hydrogen atom(s), 8 Carbon atom(s), 7 Oxygen atom(s), and 2 Phosphorous atom(s) |
How many chemical bonds and what kind of bonds are in the TEPP structure? |
36 bond(s) - 16 non-H bond(s), 2 multiple bond(s), 10 rotatable bond(s), 2 double bond(s), and 2 phosphate(s)/thiophosphate(s) |
What’s the TEPP’s molar mass? |
290.18772 g/mol |
What’s the SMILES structure of TEPP? |
CCOP(=O)(OCC)OP(=O)(OCC)OCC |
What’s the InChI code of TEPP? |
InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3 |
What’s the InChIKey format of TEPP? |
IDCBOTIENDVCBQ-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).