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3,4-Dimethoxybenzenesulfonyl chloride - 98%, high purity , CAS No.23095-31-0

COA

Grade & Purity:

≥98%

Cas Number: 23095-31-0
Molecular Weight: 236.67
MDL number: MFCD00051769
PubChem CID: 2734183
PubChem SID: 504761081

In stock

Item Number

D113399

Grouped product items
SKU	Size	Availability	Price
D113399-1g	1g	3	$14.90
D113399-5g	5g	3	$57.90
D113399-25g	25g	3	$194.90
D113399-100g	100g	1	$701.90

Basic Description

Synonyms	3,4-Dimethoxybenzenesulfonyl chloride \| 23095-31-0 \| 3,4-Dimethoxybenzene-1-Sulfonyl Chloride \| Benzenesulfonyl chloride, 3,4-dimethoxy- \| 3,4-dimethoxybenzenesulfonylchloride \| 3,4-dimethoxyphenylsulfonyl chloride \| MFCD00051769 \| 3,4-dimethoxy benzenesulfonyl chlorid
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds
      - Level5 Benzenesulfonyl halides
        Level6 Benzenesulfonyl chlorides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Benzenesulfonyl halides
Direct Parent	Benzenesulfonyl chlorides
Alternative Parents	Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom.
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	504761081
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761081
IUPAC Name	3,4-dimethoxybenzenesulfonyl chloride
INCHI	InChI=1S/C8H9ClO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey	RSJSYCZYQNJQPY-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC
Isomeric SMILES	COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC
WGK Germany	3
UN Number	3261
Molecular Weight	236.67
Reaxy-Rn	2840170
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2840170&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2402440	Certificate of Analysis	Dec 04, 2024	D113399
L2402468	Certificate of Analysis	Jul 11, 2022	D113399
I2215225	Certificate of Analysis	Jul 11, 2022	D113399
I2215226	Certificate of Analysis	Jul 11, 2022	D113399
I2215227	Certificate of Analysis	Jul 11, 2022	D113399
E1823188	Certificate of Analysis	Mar 08, 2022	D113399

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Melt Point(°C)	67-70°C
Molecular Weight	236.670 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	235.991 Da
Monoisotopic Mass	235.991 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	272.000
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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