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4-Chloro-3-nitrobenzenesulfonyl chloride - >96.0%, high purity , CAS No.97-08-5

COA

Grade & Purity:

≥96%

Cas Number: 97-08-5
Molecular Weight: 256.07
Beilstein Registry Number: 11(4)211
EC Number: 202-558-2
MDL number: MFCD00007440
PubChem CID: 7323
PubChem SID: 504751302

In stock

Item Number

C121777

Grouped product items
SKU	Size	Availability	Price
C121777-1g	1g	3	$9.90
C121777-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
C121777-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
C121777-100g	100g	1	$258.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	4-chloro-3-nitro -benzenesulfonyl chloride \| DTXSID2059148 \| 3-Nitro-4-chlorobenzenesulfonyl chloride \| C1887 \| EINECS 202-558-2 \| A24472 \| InChI=1/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H \| 4-chloro-3-nitrobenzene sulphonyl chloride \| 3-nitr
Specifications & Purity	≥96%
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	Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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	504751302
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751302
IUPAC Name	4-chloro-3-nitrobenzenesulfonyl chloride
INCHI	InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
InChIKey	SEWNAJIUKSTYOP-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Cl
Isomeric SMILES	C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Cl
WGK Germany	3
Molecular Weight	256.07
Beilstein	11(4)211
Reaxy-Rn	1978600
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978600&ln=

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

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7 results found

Lot Number	Certificate Type	Date	Item
L2125156	Certificate of Analysis	Jul 09, 2025	C121777
L2125154	Certificate of Analysis	Jul 09, 2025	C121777
L2125153	Certificate of Analysis	Jul 09, 2025	C121777
L2125155	Certificate of Analysis	Jul 09, 2025	C121777
J2127298	Certificate of Analysis	Aug 01, 2023	C121777
J2127275	Certificate of Analysis	Aug 01, 2023	C121777
H1907179	Certificate of Analysis	Mar 09, 2023	C121777

Chemical and Physical Properties

Solubility	Soluble in Toluene
Sensitivity	Moisture Sensitive
Melt Point(°C)	60°C
Molecular Weight	256.060 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	254.916 Da
Monoisotopic Mass	254.916 Da
Topological Polar Surface Area	88.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	320.000
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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