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2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride - ≥97%, high purity , CAS No.54403-98-4

COA

Grade & Purity:

≥97%

Cas Number: 54403-98-4
Molecular Weight: 323.51
MDL number: MFCD03094394
PubChem CID: 2778611
PubChem SID: 488193793

In stock

Item Number

B138972

Grouped product items
SKU	Size	Availability	Price	Qty
B138972-1g	1g	5	$27.90
B138972-5g	5g	1	$124.90

Discover 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride by Aladdin Scientific in ≥97% for only $27.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	SCHEMBL308729 \| 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonylchloride \| 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 97% \| DTXSID30381031 \| A830162 \| J-508248 \| 2-bromo-4-(trifluoromethyl)benzene sulphonyl chloride \| BBL100407 \| AKOS000180332 \| 2-
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	application： 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride may be used to synthesize butyl (E)-3-[2-bromo-4-(trifluoromethyl)phenyl]acrylate and 1-benzyl-2-(2-bromo-4-(trifluoromethyl)phenyl)indole.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzenesulfonyl chlorides Bromobenzenes Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Alkyl halide - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	488193793
IUPAC Name	2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
INCHI	InChI=1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChIKey	WWEGTYZLWBOTQW-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)Cl
WGK Germany	3
Molecular Weight	323.51
Reaxy-Rn	13267247
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13267247&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A2205111	Certificate of Analysis	Jul 09, 2025	B138972
A2205112	Certificate of Analysis	Jul 09, 2025	B138972
C2318811	Certificate of Analysis	Jan 09, 2025	B138972
C2318810	Certificate of Analysis	Jan 09, 2025	B138972
C2318813	Certificate of Analysis	Jan 09, 2025	B138972
C2318815	Certificate of Analysis	Jan 09, 2025	B138972

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.527
Flash Point(°F)	95 °F
Flash Point(°C)	35 °C
Boil Point(°C)	235-236 °C
Molecular Weight	323.520 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	321.868 Da
Monoisotopic Mass	321.868 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	324.000
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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