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4-Bromo-2-(methylsulfonyl)benzaldehyde - ≥97%, high purity , CAS No.849035-77-4

COA

Grade & Purity:

≥97%

Cas Number: 849035-77-4
Molecular Weight: 263.12
PubChem CID: 2761076

In stock

Item Number

B700440

Grouped product items
SKU	Size	Availability	Price	Qty
B700440-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
B700440-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Benzaldehyde - Benzoyl - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonyl - Sulfone - Organohalogen compound - Organosulfur compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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-2-methylsulfonylbenzaldehyde
INCHI	InChI=1S/C8H7BrO3S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKey	KMXMXSSAUZKLCE-UHFFFAOYSA-N
Smiles	CS(=O)(=O)C1=C(C=CC(=C1)Br)C=O
Isomeric SMILES	CS(=O)(=O)C1=C(C=CC(=C1)Br)C=O
PubChem CID	2761076
Molecular Weight	263.12

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	108-110(dec)
Molecular Weight	263.110 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	261.93 Da
Monoisotopic Mass	261.93 Da
Topological Polar Surface Area	59.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	280.000
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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