Structure & Deep Data of 1,1-DICHLOROETHANE (C2H4Cl2)
Identification of 1,1-DICHLOROETHANE Chemical Compound
Chemical Formula | C2H4Cl2 |
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Molecular Weight | 98.95856 g/mol |
IUPAC Name | 1,1-dichloroethane |
SMILES String | CC(Cl)Cl |
InChI | InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 |
InChIKey | SCYULBFZEHDVBN-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1,1-DICHLOROETHANE molecule contains a total of 7 bond(s). There are 3 non-H bond(s). Images of the chemical structure of 1,1-DICHLOROETHANE are given below:
The 2D chemical structure image of 1,1-DICHLOROETHANE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,1-DICHLOROETHANE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 1,1-DICHLOROETHANE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1,1-DICHLOROETHANE. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 1,1-DICHLOROETHANE is provided here.
The 1,1-DICHLOROETHANE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1,1-DICHLOROETHANE molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1,1-DICHLOROETHANE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 1,1-DICHLOROETHANE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 1,1-DICHLOROETHANE
The SMILES string of 1,1-DICHLOROETHANE is CC(Cl)Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,1-DICHLOROETHANE.
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Structure Data File (SDF/MOL File) of 1,1-DICHLOROETHANE
The structure data file (SDF/MOL File) of 1,1-DICHLOROETHANE is available for download in the SDF page of 1,1-DICHLOROETHANE, which provides the information about the atoms, bonds, connectivity and coordinates of 1,1-DICHLOROETHANE. The 1,1-DICHLOROETHANE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 1,1-DICHLOROETHANE
The molecular formula of 1,1-DICHLOROETHANE is available in chemical formula page of 1,1-DICHLOROETHANE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 1,1-DICHLOROETHANE
The molecular weight of 1,1-DICHLOROETHANE is available in molecular weight page of 1,1-DICHLOROETHANE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 1,1-DICHLOROETHANE
The 1,1-DICHLOROETHANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,1-DICHLOROETHANE including the various registry numbers, if available:
- 1,1-Dichloroethane (may be stabilized with Nitromethane)
- I14-19648
- 1,1-Dichloroethane [UN2362] [Flammable liquid]
- A838387
- 1,1-Dichloroethane [UN2362] [Flammable liquid]
- 1,1-Dichloroethane (stabilized with nitromethane)
- Y-8943
- S0623
- D0363
- CAS-75-34-3
- UN 2362
- RTR-024244
- ANW-41633
- 9227AE
- LTBB002751
- 0S989LNA44
- ETHYL, 1,1-DICHLORO-
- CFC-150a
- Assymmetrical Dichloroethane
- 1,1-bis(chloranyl)ethane
- 1,1-Ethylene dichloride
- CH3CHCl2
- 1,1-Dichloro-ethane
- 2,2-dichloroethane
- 1,1 dichloroethane
- dichloro-ethane
- dichloro ethane
- dichloroethan
- dichioroethane
- 1,1-Dichloroethane, analytical standard
- MFCD00013673
- 1,1-Dichloroethane Ethlidene chloride
- Dichlorethan
- RCRA waste no. U076
- 1300-21-6
- Dichloroethane, 1,1-
- Cloruro di etilidene [Italian]
- Chlorure d'ethylidene [French]
- 1,1-Dicloroetano [Italian]
- 1,1-Dichloraethan [German]
- 1,1-Dichloorethaan [Dutch]
- Aethylidenchlorid [German]
- alpha,alpha-Dichloroethane
- Chlorinated hydrochloric ether
- Chlorure D'ethylidene
- 1,1-Dichloorethaan
- Cloruro di etilidene
- 1,1-Dichloraethan
- RCRA waste number U076
- Dichloromethylmethane
- 1,1-Ethylidene dichloride
- 1,1-Dicloroetano
- Aethylidenchlorid
- 1,1-Dichlorethane
- DICHLOROETHANE
- Ethane, 1,1-dichloro-
- 75-34-3
- Ethylidene dichloride
- Ethylidene chloride
1,1-DICHLOROETHANE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 1,1-DICHLOROETHANE? |
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C2H4Cl2 |
How many atoms and what are the elements included the 1,1-DICHLOROETHANE molecule? |
8 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the 1,1-DICHLOROETHANE structure? |
7 bond(s) - 3 non-H bond(s) |
What’s the 1,1-DICHLOROETHANE’s molecular weight? |
98.95856 g/mol |
What’s the SMILES code of 1,1-DICHLOROETHANE? |
CC(Cl)Cl |
What’s the InChI string of 1,1-DICHLOROETHANE? |
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 |
What’s the InChIKey code of 1,1-DICHLOROETHANE? |
SCYULBFZEHDVBN-UHFFFAOYSA-N |
4105
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).