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1-(2-Bromophenylsulfonyl)-1H-pyrazole - 98%, high purity , CAS No.957120-65-9

COA

Grade & Purity:

≥98%

Cas Number: 957120-65-9
Molecular Weight: 287.1
PubChem CID: 26370015

In stock

Item Number

B188831

Grouped product items
SKU	Size	Availability	Price	Qty
B188831-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90
B188831-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,168.90

Basic Description

Synonyms	957120-65-9 \| 1-((2-Bromophenyl)sulfonyl)-1H-pyrazole \| 1-(2-Bromophenylsulfonyl)-1H-pyrazole \| 1-(2-bromophenyl)sulfonylpyrazole \| 1-(2-bromophenylsulfonyl)-1-H-pyrazole \| SCHEMBL24254286 \| DTXSID00650044 \| MFCD09800952 \| AKOS015835124 \| BS-22596 \| 1-[(2-Bromophenyl)sulphon
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Bromobenzenes Aryl bromides Sulfonyls Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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	1-(2-bromophenyl)sulfonylpyrazole
INCHI	InChI=1S/C9H7BrN2O2S/c10-8-4-1-2-5-9(8)15(13,14)12-7-3-6-11-12/h1-7H
InChIKey	QATUVNJTMAQYOC-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)S(=O)(=O)N2C=CC=N2)Br
Isomeric SMILES	C1=CC=C(C(=C1)S(=O)(=O)N2C=CC=N2)Br
Molecular Weight	287.1
Reaxy-Rn	39549332
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39549332&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	287.140 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	285.941 Da
Monoisotopic Mass	285.941 Da
Topological Polar Surface Area	60.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	315.000
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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