≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged,Desiccated Ships Normal 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)Cl)Cl |
|---|---|
| IUPAC Name | 1,2-dichloro-3,4,5,6-tetradeuteriobenzene |
| InChIKey | RFFLAFLAYFXFSW-RHQRLBAQSA-N |
| INCHI | 1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])Cl)Cl)[2H])[2H] |
| WGK Germany | 3 |
| Alternate CAS | 95-50-1（unlabelled） |
| UN Number | 1591 |
| Packing Group | III |
| Molecular Weight | 151.03 |
| Beilstein | 1950096 |
| Reaxy-Rn | 606078 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606078&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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aryl chlorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Solubility | Insoluble in water |
|---|---|
| Sensitivity | Moisture sensitive.Light sensitive.Hygroscopic. |
| Refractive Index | 1.5509 |
| Flash Point(°F) | 150.8 °F |
| Flash Point(°C) | 65°C |
| Boil Point(°C) | 178-180°C |
| Melt Point(°C) | -17°C |
| Molecular Weight | 151.020 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 149.994 Da |
| Monoisotopic Mass | 149.994 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 62.900 |
| 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 |
| 1. Xu Zhang, Guangping Sun, Heng Liu, Xuequan Zhang. (2021) Fabrication of porous polymer coating layers with selective wettability on filter papers via the breath figure method and their applications in oil/water separation. RSC Advances, 11 (24): (14276-14284). [PMID:35423976] [10.1039/D1RA01080H] |
| 2. Xu Zhang, Guangping Sun, Xuequan Zhang. (2020) A novel thermoplastic shape memory polymer with solid-state plasticity derived from exchangeable hydrogen bonds. RSC Advances, 10 (16): (9387-9395). [PMID:35497231] [10.1039/D0RA00988A] |
