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Diphenyl α-Chlorobenzylphosphonate - >98.0%(HPLC)(T), high purity , CAS No.58263-67-5

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 58263-67-5
Molecular Weight: 358.76
Beilstein Registry Number: 7(4)554
PubChem CID: 277711

In stock

Item Number

D155183

Grouped product items
SKU	Size	Availability	Price
D155183-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
D155183-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
D155183-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$316.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	Diphenyl alpha-Chlorobenzylphosphonate \| D3824 \| MFCD00159438 \| T71093 \| [chloro(diphenoxyphosphoryl)methyl]benzene \| DTXSID70298871 \| diphenyl chloro(phenyl)methylphosphonate \| NSC126664 \| NSC-126664 \| SCHEMBL1473410 \| alpha-Chlorobenzylphosphonic Acid D
Specifications & Purity	≥98%(HPLC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxy compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxy compounds
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxy compounds
Alternative Parents	Phosphonic acid diesters Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[chloro(diphenoxyphosphoryl)methyl]benzene
INCHI	InChI=1S/C19H16ClO3P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19H
InChIKey	LTRZPFCYQMGZGD-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)Cl
Isomeric SMILES	C1=CC=C(C=C1)C(P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)Cl
Molecular Weight	358.76
Beilstein	7(4)554
Reaxy-Rn	3407560
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3407560&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	210°C/2mmHg(lit.)
Molecular Weight	358.800 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	358.053 Da
Monoisotopic Mass	358.053 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	389.000
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

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