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4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole - 97%, high purity , CAS No.1187385-91-6

COA

Grade & Purity:

≥97%

Cas Number: 1187385-91-6
Molecular Weight: 356.2
PubChem CID: 46739308

In stock

Item Number

B179928

Grouped product items
SKU	Size	Availability	Price
B179928-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
B179928-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90
B179928-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90
B179928-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,197.90

Discover 4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole by Aladdin Scientific in 97% for only $103.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1187385-91-6 \| 4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole \| 4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazole \| 4-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole \| C13H14BrN3O2S \| DTXSID70674919 \| 4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl)-phenyl)-1H-pyraz
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aryl bromides Sulfonyls Pyrrolidines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Azacycle - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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	4-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole
INCHI	InChI=1S/C13H14BrN3O2S/c14-11-9-15-17(10-11)12-3-5-13(6-4-12)20(18,19)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2
InChIKey	YZYSDVOOLVZULZ-UHFFFAOYSA-N
Smiles	C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br
Isomeric SMILES	C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br
PubChem CID	46739308
Molecular Weight	356.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	356.240 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	354.999 Da
Monoisotopic Mass	354.999 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	425.000
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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