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Diphenyl 4-Bromo-α-chlorobenzylphosphonate - 95%, high purity , CAS No.189099-56-7

COA

Grade & Purity:

≥95%

Cas Number: 189099-56-7
Molecular Weight: 437.65
PubChem CID: 44630008
PubChem SID: 488201043

In stock

Item Number

D155193

Grouped product items
SKU	Size	Availability	Price
D155193-1g	1g	3	$48.90
D155193-5g	5g	3	$188.90
D155193-25g	25g	3	$453.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	Diphenyl [(4-bromophenyl)(chloro)methyl]phosphonate \| 1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene \| D90235 \| J-012196 \| AS-72518 \| Diphenyl 4-Bromo-alpha-chlorobenzylphosphonate \| AKOS015835691 \| 4-Bromo-alpha-chlorobenzylphosphonic Acid Diphenyl
Specifications & Purity	≥95%
Storage Temp	Argon charged
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 Bromobenzenes Phosphonic acid esters Aryl bromides Organophosphorus compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Bromobenzene - Halobenzene - Phosphonic acid diester - Aryl bromide - Aryl halide - Phosphonic acid ester - Organophosphonic acid derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organophosphorus compound - Hydrocarbon derivative - 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

Pubchem Sid	488201043
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201043
IUPAC Name	1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene
INCHI	InChI=1S/C19H15BrClO3P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H
InChIKey	ZSYMFYMYJVSPDH-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Br)Cl)OC3=CC=CC=C3
Isomeric SMILES	C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Br)Cl)OC3=CC=CC=C3
Molecular Weight	437.65
Reaxy-Rn	7772824
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7772824&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
G2329369	Certificate of Analysis	Jun 28, 2023	D155193
G2329373	Certificate of Analysis	Jun 28, 2023	D155193
G2329362	Certificate of Analysis	Jun 28, 2023	D155193
G2329376	Certificate of Analysis	Jun 28, 2023	D155193
G2329357	Certificate of Analysis	Jun 28, 2023	D155193
G2329352	Certificate of Analysis	Jun 28, 2023	D155193

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Melt Point(°C)	107°C(lit.)
Molecular Weight	437.600 g/mol
XLogP3	6.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	435.963 Da
Monoisotopic Mass	435.963 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	420.000
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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