Usually used in the synthesis of α-chlorophenylacetic acid (CPAA),and also used to prepare chloro-telechelic macroinitiators.
| Canonical Smiles | C1=CC=C(C=C1)C(C(=O)Cl)Cl |
|---|---|
| IUPAC Name | 2-chloro-2-phenylacetyl chloride |
| InChIKey | FGEAOSXMQZWHIQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H |
| Isomeric SMILES | C1=CC=C(C=C1)C(C(=O)Cl)Cl |
| WGK Germany | 3 |
| Molecular Weight | 189.04 |
| Beilstein | 1073019 |
| Reaxy-Rn | 3197872 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3197872&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 | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2219258 | Certificate of Analysis | Feb 04, 2026 | D133626 |
| G2219260 | Certificate of Analysis | Feb 04, 2026 | D133626 |
| L2419257 | Certificate of Analysis | Jan 04, 2025 | D133626 |
| K2104454 | Certificate of Analysis | Aug 07, 2023 | D133626 |
| K2104453 | Certificate of Analysis | Aug 07, 2023 | D133626 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.544 |
| Flash Point(°F) | 123.8 °F |
| Flash Point(°C) | 51 °C |
| Boil Point(°C) | 120°C/23mmHg |
| Molecular Weight | 189.040 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.98 Da |
| Monoisotopic Mass | 187.98 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 | 1 |
