≥98%(CP),≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 528775417 |
|---|---|
| Sourires canoniques | COC1=CC=CC=C1 |
| IUPAC Name | trideuteriomethoxybenzene |
| InChIKey | RDOXTESZEPMUJZ-FIBGUPNXSA-N |
| INCHI | 1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 |
| Isomères SMILES | [2H]C([2H])([2H])OC1=CC=CC=C1 |
| CAS alternatif | 100-66-3（unlabelled） |
| Numéro ONU | 1993 |
| Groupe d'emballage | III |
| Poids moléculaire | 111.16 |
| Reaxy-Rn | 506892 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506892&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 |
| Classe | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Indice de réfraction | n20/D 1.5164 (lit.) |
|---|---|
| Point d'éclair (°F) | 125.6 °F - closed cup |
| Point d'éclair (°C) | 52.00 °C - closed cup |
| Point d'ébullition (°C) | 154℃ (lit.) |
| Point de fusion (°C) | -37℃ (lit.) |
| Poids moléculaire | 111.160 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 111.076 Da |
| Monoisotopic Mass | 111.076 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 55.400 |
| Isotope Atom Count | 3 |
| 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 |
H2521272