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Basic Description
| Synonyms | Formic Acid 2,4,6-Trichlorophenyl Ester |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenoxy compounds
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenoxy compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxy compounds |
| Alternative Parents | Chlorobenzenes Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488201660 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201660 |
| IUPAC Name | (2,4,6-trichlorophenyl) formate |
| INCHI | InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12-3-11)6(10)2-4/h1-3H |
| InChIKey | YSUDXADDVAYVNS-UHFFFAOYSA-N |
| Smiles | C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl |
| PubChem CID | 53750963 |
| Molecular Weight | 225.45 |
| Reaxy-Rn | 2524466 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2214355 |
Certificate of Analysis | Feb 15, 2022 | T161899 |
| J2214345 |
Certificate of Analysis | Feb 15, 2022 | T161899 |
| J2214681 |
Certificate of Analysis | Feb 15, 2022 | T161899 |
Chemical and Physical Properties
| Solubility | Soluble in toluene. |
|---|---|
| Melt Point(°C) | 81.0 to 85.0 °C |
| Molecular Weight | 225.500 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.92 Da |
| Monoisotopic Mass | 223.92 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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