Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl |
|---|---|
| IUPAC Name | 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride |
| InChIKey | RSLNRVYIRDVHLY-UHFFFAOYSA-N |
| INCHI | 1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H |
| Isomeric SMILES | CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl |
| WGK Germany | 3 |
| RTECS | DN8785000 |
| PubChem CID | 5702285 |
| Molecular Weight | 264.19 |
| Reaxy-Rn | 5646719 |
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 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | organic molecular entity |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 07, 2023 | T140625 |
| Solubility | Solubility in water: Completely soluble; Very soluble in Methanol,Ethanol; Soluble in Acetone; Insoluble in Ether |
|---|---|
| Sensitivity | Heat & Moisture sensitive. |
| Melt Point(°C) | 158°C-162°C |
| Molecular Weight | 264.190 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.084 Da |
| Monoisotopic Mass | 263.084 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |