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1-[bromomethyl(ethoxy)phosphoryl]oxyethane - ≥98%, high purity , CAS No.66197-72-6

COA

Grade & Purity:

≥98%

Cas Number: 66197-72-6
Molecular Weight: 231.02
PubChem CID: 533734

In stock

Item Number

O697960

Grouped product items
SKU	Size	Availability	Price
O697960-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
O697960-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90
O697960-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,467.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Phosphonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Phosphonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl alkylphosphonates
Alternative Parents	Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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	1-[bromomethyl(ethoxy)phosphoryl]oxyethane
INCHI	InChI=1S/C5H12BrO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKey	DOXOAUCOLUGCQX-UHFFFAOYSA-N
Smiles	CCOP(=O)(CBr)OCC
Isomeric SMILES	CCOP(=O)(CBr)OCC
PubChem CID	533734
Molecular Weight	231.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.020 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	229.971 Da
Monoisotopic Mass	229.971 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118.000
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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