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3,4-Dimethylbenzenesulfonyl chloride - 98%, high purity , CAS No.2905-30-8

COA

Grade & Purity:

≥98%

Cas Number: 2905-30-8
Molecular Weight: 204.68
EC Number: 210-337-7
MDL number: MFCD00625742
PubChem CID: 3689743
PubChem SID: 504762663

In stock

Item Number

D122518

Grouped product items
SKU	Size	Availability	Price
D122518-1g	1g	3	$142.90
D122518-5g	5g	2	$309.90
D122518-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$680.90
D122518-100g	100g	1	$2,060.90

Basic Description

Synonyms	3,4-dimethylbenzenesulfonyl chloride \| 2905-30-8 \| Benzenesulfonyl chloride, 3,4-dimethyl- \| 3,4-dimethylbenzene-1-sulfonyl chloride \| MFCD00625742 \| 3,4- Dimethyl-benzenesulfonyl chloride \| 3,4-dimethylbenzenesulfonylchloride \| 3,4-Dimethyl-benzenesulfonyl chloride \| SC
Specifications & Purity	≥98%
Storage Temp	Argon charged
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	o-Xylenes Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - O-xylene - Xylene - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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	504762663
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762663
IUPAC Name	3,4-dimethylbenzenesulfonyl chloride
INCHI	InChI=1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3
InChIKey	DNMQPRPJIWTNAX-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)S(=O)(=O)Cl)C
Isomeric SMILES	CC1=C(C=C(C=C1)S(=O)(=O)Cl)C
Molecular Weight	204.68
Reaxy-Rn	2208967
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208967&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.

4 results found

Lot Number	Certificate Type	Date	Item
L2215240	Certificate of Analysis	Dec 20, 2022	D122518
L2215260	Certificate of Analysis	Dec 20, 2022	D122518
L2215262	Certificate of Analysis	Dec 20, 2022	D122518
L2215161	Certificate of Analysis	Dec 20, 2022	D122518

Chemical and Physical Properties

Solubility	Reacts with water.
Sensitivity	Moisture Sensitive
Molecular Weight	204.670 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	204.001 Da
Monoisotopic Mass	204.001 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	242.000
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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