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2-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine - 98%, high purity , CAS No.1201186-54-0

COA

Grade & Purity:

≥98%

Cas Number: 1201186-54-0
Molecular Weight: 352.21
PubChem CID: 52987643
PubChem SID: 504771084

In stock

Item Number

B190029

Grouped product items
SKU	Size	Availability	Price
B190029-50mg	50mg	3	$12.90
B190029-250mg	250mg	3	$52.90
B190029-1g	1g	2	$106.90
B190029-5g	5g	2	$487.90

Basic Description

Synonyms	1201186-54-0 \| N-Tosyl-5-bromo-4,7-diazaindole \| 2-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine \| 2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine \| 5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]- \| MFCD12964053 \| 2-BROMO-5-(P-TOLYLSULFONYL)-5H-PY
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light
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 Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Tosyl compounds Pyrrolopyrazines Benzenesulfonyl compounds Substituted pyrroles Pyrazines Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyrrolopyrazine - Toluene - Aryl bromide - Aryl halide - Pyrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - 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

Pubchem Sid	504771084
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771084
IUPAC Name	2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
INCHI	InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3
InChIKey	UMZKBENCNNDLRF-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br
Molecular Weight	352.21
Reaxy-Rn	19735389
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19735389&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2226317	Certificate of Analysis	Sep 28, 2022	B190029
K2226299	Certificate of Analysis	Sep 28, 2022	B190029
K2226318	Certificate of Analysis	Sep 28, 2022	B190029
K2226302	Certificate of Analysis	Sep 28, 2022	B190029
C2518275	Certificate of Analysis	Sep 28, 2022	B190029

Chemical and Physical Properties

Sensitivity	Light sensitive;heat sensitive
Molecular Weight	352.210 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	350.968 Da
Monoisotopic Mass	350.968 Da
Topological Polar Surface Area	73.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445.000
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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