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Bis(2,4-dichlorophenyl) chlorophosphate - ≥80%, high purity , CAS No.14254-41-2
Discover Bis(2,4-dichlorophenyl) chlorophosphate by Aladdin Scientific in ≥80% for only $227.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
C12H6Cl5O3P | RHQSBXZVIMBYKW-UHFFFAOYSA-N | J-007664 | 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene | MFCD00674034 | Bis(2,4-dichlorophenyl) chlorophosphate | InChI=1/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(1
Specifications & Purity
≥80%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds Phosphate esters Aryl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - 1,3-dichlorobenzene - Phosphoric acid ester - Organic phosphoric acid derivative - Aryl halide - Aryl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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
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.
Names and Identifiers
IUPAC Name
2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
INCHI
InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey
RHQSBXZVIMBYKW-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
Isomeric SMILES
C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
WGK Germany
3
Molecular Weight
406.41
Reaxy-Rn
4204354
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4204354&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
406.400 g/mol
XLogP3
6.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
405.847 Da
Monoisotopic Mass
403.85 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
367.000
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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