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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,5-Dichlorophenol - ≥98% , CAS No.583-78-8
Synonyms
Phenol, 2,5-dichloro-|2,5-Dichlorophenol--d3|2,5-dichlorophenol|2,5-dichloro-phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-DICHLOROPHENOL [HSDB]|Phenol, 2,5-dichloro-; 2,5-Dichlorophenol; NSC 6296|DICHLOROPHENOL, 2,5-|2,5-DCP|3,6-dichlorophenol
Shipped In
FedEx DG Service
Specifications Synonyms
Phenol, 2,5-dichloro- | 2,5-Dichlorophenol--d3 | 2,5-dichlorophenol | 2,5-dichloro-phenol | 2,5-Dichlorophenol (ACD/Name 4.0) | 2,5-DICHLOROPHENOL [HSDB] | Phenol, 2,5-dichloro-; 2,5-Dichlorophenol; NSC 6296 | DICHLOROPHENOL, 2,5- | 2,5-DCP | 3,6-dichlorophenol
Specifications & Purity
≥98%
Shipped In
FedEx DG Service
Names and Identifiers Canonical Smiles
C1=CC(=C(C=C1Cl)O)Cl
IUPAC Name
2,5-dichlorophenol
InChIKey
RANCECPPZPIPNO-UHFFFAOYSA-N
INCHI
1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
Isomeric SMILES
C1=CC(=C(C=C1Cl)O)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907692&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Chlorobenzenes Direct Parent Dichlorobenzenes Alternative Parents O-chlorophenols M-chlorophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 1,4-dichlorobenzene - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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 dichlorophenol Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Slightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether. x_flash_point_drop_centigrade 100°C x_boil_point_char 211°C x_melt_point_char 54-58°C Molecular Weight 163.000 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 161.964 Da Monoisotopic Mass 161.964 Da Topological Polar Surface Area 20.200 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 97.100 Isotope Atom Count 0 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
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