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Dimethyl 1,3-Benzodithiol-2-ylphosphonate - >98.0%(GC), high purity , CAS No.62217-35-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 62217-35-0
Molecular Weight: 262.28
Beilstein Registry Number: 19(5)9,89
PubChem CID: 400748

In stock

Item Number

D155273

Grouped product items
SKU	Size	Availability	Price	Qty
D155273-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
D155273-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90

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Element classified compounds (2014) Phosphonic acids (146)

Basic Description

Synonyms	SCHEMBL1966987 \| 2-dimethoxyphosphoryl-1,3-benzodithiole \| Dimethyl 1,3-Benzodithiol-2-ylphosphonate \| T71133 \| D3992 \| Dimethyl benzo[d][1,3]dithiol-2-ylphosphonate \| DTXSID70328006 \| 2-Dimethoxyphosphinyl-1,3-benzodithiole \| MFCD00848417 \| 1,3-Benzodith
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Dialkyl alkylphosphonates Alkylarylthioethers Phosphonic acid esters Benzenoids 1,3-dithioles Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl thioether - Alkylarylthioether - Phosphonic acid diester - Dialkyl alkylphosphonate - Phosphonic acid ester - Benzenoid - Organophosphonic acid derivative - Dithiole - 1,3-dithiole - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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	2-dimethoxyphosphoryl-1,3-benzodithiole
INCHI	InChI=1S/C9H11O3PS2/c1-11-13(10,12-2)9-14-7-5-3-4-6-8(7)15-9/h3-6,9H,1-2H3
InChIKey	VKVOUPYVLWQXLB-UHFFFAOYSA-N
Smiles	COP(=O)(C1SC2=CC=CC=C2S1)OC
Isomeric SMILES	COP(=O)(C1SC2=CC=CC=C2S1)OC
Molecular Weight	262.28
Beilstein	19(5)9,89
Reaxy-Rn	524823
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=524823&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Melt Point(°C)	122 °C
Molecular Weight	262.300 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	261.989 Da
Monoisotopic Mass	261.989 Da
Topological Polar Surface Area	86.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252.000
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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