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2-Methyl-3-nitrobenzene-1-sulfonyl chloride - ≥95%, high purity , CAS No.56682-04-3

COA

Grade & Purity:

≥95%

Cas Number: 56682-04-3
Molecular Weight: 235.64
MDL number: MFCD08443419
PubChem CID: 16770135

In stock

Item Number

M768824

Grouped product items
SKU	Size	Availability	Price	Qty
M768824-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 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	Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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

INCHI	InChI=1S/C7H6ClNO4S/c1-5-6(9(10)11)3-2-4-7(5)14(8,12)13/h2-4H,1H3
InChIKey	SQIRQSKPXILWAM-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1S(=O)(=O)Cl)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C=CC=C1S(=O)(=O)Cl)[N+](=O)[O-]
Molecular Weight	235.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.650 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	234.971 Da
Monoisotopic Mass	234.971 Da
Topological Polar Surface Area	88.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	318.000
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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