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4-Bromophenyl trifluoromethanesulfonate - ≥98%, high purity , CAS No.66107-30-0

COA

Grade & Purity:

≥98%

Cas Number: 66107-30-0
Molecular Weight: 305.07
PubChem CID: 598839

In stock

Item Number

B698336

Grouped product items
SKU	Size	Availability	Price
B698336-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
B698336-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
B698336-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$404.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxy compounds
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxy compounds
Alternative Parents	Trifluoromethanesulfonates Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Trifluoromethanesulfonate - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Alkyl fluoride - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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-bromophenyl) trifluoromethanesulfonate
INCHI	InChI=1S/C7H4BrF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H
InChIKey	UNYUEWLAYXLXHK-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)Br
Isomeric SMILES	C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)Br
PubChem CID	598839
Molecular Weight	305.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	305.070 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	303.902 Da
Monoisotopic Mass	303.902 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	300.000
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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