≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=C1)O)Cl |
|---|---|
| IUPAC Name | 2-chloro-3,4,5,6-tetradeuteriophenol |
| InChIKey | ISPYQTSUDJAMAB-RHQRLBAQSA-N |
| INCHI | 1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/i1D,2D,3D,4D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])O)Cl)[2H])[2H] |
| UN Number | 2021 |
| Molecular Weight | 132.58 |
| Reaxy-Rn | 1905114 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905114&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Halophenols |
| Intermediate Tree Nodes | Chlorophenols |
| Direct Parent | O-chlorophenols |
| Alternative Parents | Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring. |
| External Descriptors | Not available |
| Refractive Index | n20/D 1.558 (lit.) |
|---|---|
| Flash Point(°F) | 147.2 °F - closed cup |
| Flash Point(°C) | 64 °C - closed cup |
| Boil Point(°C) | 175-176℃ (lit.) |
| Melt Point(°C) | 8℃ (lit.) |
| Molecular Weight | 132.580 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 132.028 Da |
| Monoisotopic Mass | 132.028 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.900 |
| Isotope Atom Count | 4 |
| 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 |
