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1-((4-Bromophenyl)sulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine - 95%, high purity , CAS No.1429309-33-0

COA

Grade & Purity:

≥95%

Cas Number: 1429309-33-0
Molecular Weight: 416.63
PubChem CID: 86280246

In stock

Item Number

B190900

Grouped product items
SKU	Size	Availability	Price	Qty
B190900-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$717.90

Basic Description

Synonyms	1429309-33-0 \| 1-((4-Bromophenyl)sulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine \| 1-(4-bromophenyl)sulfonyl-4-chloro-5-nitropyrrolo[2,3-b]pyridine \| 1-(4-Bromophenylsulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine \| 1-[(4-Bromophenyl)sulfonyl]-4-chloro-
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Pyrrolopyridines Benzenesulfonyl compounds Nitroaromatic compounds Bromobenzenes Aryl bromides Substituted pyrroles Pyridines and derivatives Aryl chlorides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic salts Organobromides Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Pyrrolopyridine - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organochloride - Organobromide - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic 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-(4-bromophenyl)sulfonyl-4-chloro-5-nitropyrrolo[2,3-b]pyridine
INCHI	InChI=1S/C13H7BrClN3O4S/c14-8-1-3-9(4-2-8)23(21,22)17-6-5-10-12(15)11(18(19)20)7-16-13(10)17/h1-7H
InChIKey	KGBWZJPKJXWKGA-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1S(=O)(=O)N2C=CC3=C(C(=CN=C32)[N+](=O)[O-])Cl)Br
Isomeric SMILES	C1=CC(=CC=C1S(=O)(=O)N2C=CC3=C(C(=CN=C32)[N+](=O)[O-])Cl)Br
Molecular Weight	416.63
Reaxy-Rn	33302830
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33302830&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	416.630 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	414.903 Da
Monoisotopic Mass	414.903 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	559.000
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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