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3-Bromobenzylsulfonyl chloride - 97%, high purity , CAS No.58236-74-1

COA

Grade & Purity:

≥97%

Cas Number: 58236-74-1
Molecular Weight: 269.5
PubChem CID: 2761451
PubChem SID: 504761604

In stock

Item Number

B185359

Grouped product items
SKU	Size	Availability	Price
B185359-1g	1g	3	$79.90
B185359-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$232.90
B185359-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$962.90

Basic Description

Synonyms	(3-bromophenyl)methanesulfonyl Chloride \| 58236-74-1 \| 3-Bromobenzylsulfonyl Chloride \| (3-Bromophenyl)methanesulphonyl chloride \| 3-bromobenzylsulphonyl chloride \| SCHEMBL1118911 \| DTXSID70375777 \| VCGKEAIINMDLMC-UHFFFAOYSA-N \| MFCD06798043 \| (3-Bromophenyl)methanesulfony
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached 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	504761604
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761604
IUPAC Name	(3-bromophenyl)methanesulfonyl chloride
INCHI	InChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChIKey	VCGKEAIINMDLMC-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl
Isomeric SMILES	C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl
Molecular Weight	269.5
Reaxy-Rn	2834785
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2834785&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2315161	Certificate of Analysis	Jun 05, 2023	B185359
F2315152	Certificate of Analysis	Jun 05, 2023	B185359
F2315166	Certificate of Analysis	Jun 05, 2023	B185359
F2315164	Certificate of Analysis	Jun 05, 2023	B185359
F2315158	Certificate of Analysis	Jun 05, 2023	B185359
F2315162	Certificate of Analysis	Jun 05, 2023	B185359

Chemical and Physical Properties

Molecular Weight	269.540 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	267.896 Da
Monoisotopic Mass	267.896 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	234.000
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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