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1-(3-Bromo-5-trifluoromethylphenylsulfonyl)pyrrolidine - 95%, high purity , CAS No.951884-59-6

COA

Grade & Purity:

≥95%

Cas Number: 951884-59-6
Poids moléculaire: 358.2
PubChem CID: 26986230

En stock

Item Number

B188608

Articles du produit groupé
SKU	Taille	Disponibilité	Prix	Qté
B188608-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	1 618,90$US
B188608-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	4 543,90$US

Description générale

Synonymes	951884-59-6 \| 1-((3-Bromo-5-(trifluoromethyl)phenyl)sulfonyl)pyrrolidine \| 1-(3-Bromo-5-trifluoromethylphenylsulfonyl)pyrrolidine \| 1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine \| C11H11BrF3NO2S \| SCHEMBL19259699 \| DTXSID40650523 \| CQJNMANCWRRNDY-UHFFFAOYSA-
Spécifications et pureté	≥95%
Température de stockage	Room temperature
Expédié en	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Trifluoromethylbenzenes Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Aryl bromides Sulfonyls Pyrrolidines Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - 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

Noms et identifiants

IUPAC Name	1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine
INCHI	InChI=1S/C11H11BrF3NO2S/c12-9-5-8(11(13,14)15)6-10(7-9)19(17,18)16-3-1-2-4-16/h5-7H,1-4H2
InChIKey	CQJNMANCWRRNDY-UHFFFAOYSA-N
Smiles	C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)Br
Isomères SMILES	C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)Br
Poids moléculaire	358.2
Reaxy-Rn	31868244
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31868244&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	358.180 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	356.965 Da
Monoisotopic Mass	356.965 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	415.000
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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