Formula of Chloroethane (C2H5Cl)
Identification of Chloroethane Chemical Compound
Chemical Formula | C2H5Cl |
---|---|
Molecular Weight | 64.5138 g/mol |
IUPAC Name | chloroethane |
SMILES String | CCCl |
InChI | InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 |
InChIKey | HRYZWHHZPQKTII-UHFFFAOYSA-N |
Chemical Formula Description
The Chloroethane molecule contains a total of 8 atom(s). There are 5 Hydrogen atom(s), 2 Carbon atom(s), and 1 Chlorine atom(s). A chemical formula of Chloroethane can therefore be written as:
C2H5Cl
The chemical formula of Chloroethane shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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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 Chloroethane Molecule
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Structure Data File (SDF/MOL File) of Chloroethane
The structure data file (SDF/MOL File) of Chloroethane is available for download in the SDF page of Chloroethane providing the information about the atoms, bonds, connectivity and coordinates of Chloroethane, which is not completely available in the chemical formula representation. The Chloroethane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Chloroethane
The chemical structure image of Chloroethane is available in chemical structure page of Chloroethane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Chloroethane and the chemical bonds that hold the atoms together.
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Molecular weight of Chloroethane
The molecular weight of Chloroethane is available in molecular weight page of Chloroethane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Chloroethane.
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InChI (IUPAC International Chemical Identifier) information of Chloroethane
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Chloroethane is:
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
It can provide a standard way to encode the molecular information of Chloroethane 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 Chloroethane is:
InChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Chloroethane, but it needs to be linked to the full InChI to get back to the original structure of the Chloroethane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Chloroethane
The Chloroethane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Chloroethane including the registry numbers is given below, if available:
- BBV-155295
- Chloroethane solution, certified reference material, TraceCERT(R), 1000 mug/mL in methanol, ampule of 1 mL
- 68909-11-5
- 68583-57-3
- Chloroethane solution, 200 mug/mL in methanol, analytical standard
- Chloroethane solution, 2.0 M in tert-butyl methyl ether, anhydrous
- Chloroethane solution, 1000 mug/mL in methanol, analytical standard
- Chloroethane solution, 2.0 M in diethyl ether, anhydrous
- I14-19639
- A838306
- D04088
- R 160
- F 160
- Ethyl chloride [UN1037] [Flammable gas]
- Ethyl chloride [UN1037] [Flammable gas]
- 16520-13-1
- ETHYL, 1-CHLORO-(8CI,9CI)
- MFCD00000961
- ETHYL HLORIDE (C HLOROETHANE
- ETHYL HLORIDE (CHLOROETHANE
- Chloroethane, purum, >=98.0%
- Ethane, chloro- (8CI,9CI)
- 46U771ERWK
- Chloroethane, >=99.8%
- Chloroethane, >=99.7%
- Chloroethane, >=98.0%
- ETHYL, 2-CHLORO-
- 1-CHLORO-ETHANE
- CHLOROETHYL GROUP
- Ethyl chloride (USP)
- ETHYL CHLORIDE (CHLOROETHANE)
- Chlorinated ethane byproduct residues
- 1-Chloroethane #
- aethylii chloridum
- Chloraethan
- chloranylethane
- Polychlorinated ethanes
- Ethyl, 1-chloro-
- Chlorinated ethanes
- Aethylchloride
- 68411-72-3
- UN 1037
- Chloroethane solution
- Chloryle anesthetic
- Cloruro di etile [Italian]
- Chlorure d'ethyle [French]
- EtCl
- mono-chloroethane
- Etylu chlorek [Polish]
- Ethane, chloro derivs.
- Aethylchloride [German]
- Aethylchlorid [German]
- ethylchloride
- Chloroaethan [German]
- Cloroetano [Italian]
- Chloorethaan [Dutch]
- Chlorure D'ethyle
- C2H5Cl
- Cloruro di etile
- Etylu chlorek
- Ether chloridum
- Cloroetano
- Chloroaethan
- Chloorethaan
- 1-Chloroethane
- Chloridum
- Aethylis
- Aethylchlorid
- Hydrochloric ether
- Kelene
- Narcotile
- 75-00-3
- Ether hydrochloric
- Chloryl anesthetic
- Aethylis chloridum
- Ether muriatic
- Ether chloratus
- Chloryl
- Dublofix
- Cloretilo
- Anodynon
- Monochlorethane
- Muriatic ether
- Monochloroethane
- Chelen
- Chlorethyl
- Chlorene
- Ethane, chloro-
- ETHYL CHLORIDE
Chloroethane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Chloroethane? |
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C2H5Cl |
How many atoms and what are they in the Chloroethane structure? |
8 atom(s) - 5 Hydrogen atom(s), 2 Carbon atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what are they in the Chloroethane structure? |
7 bond(s) - 2 non-H bond(s) |
What’s the molecular weight of Chloroethane? |
64.5138 g/mol |
What’s the SMILES string of Chloroethane? |
CCCl |
What’s the InChI of Chloroethane? |
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 |
What’s the InChIKey of Chloroethane? |
HRYZWHHZPQKTII-UHFFFAOYSA-N |
5834
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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).