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1-(4-Bromophenyl)-2-tosylethanone , CAS No.31377-97-6

1-(4-Bromophenyl)-2-tosylethanone , CAS No.31377-97-6

Name: 1-(4-Bromophenyl)-2-tosylethanone , CAS No.31377-97-6
SKU: B1051849
Availability: InStock

CAS: 31377-97-6 Cat. No.: B1051849 Fórmula: C₁₅H₁₃BrO₃S Peso molecular: 353.24 PubChem CID: 281446

COA

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1-(4-Bromophenyl)-2-tosylethanone - CAS No(31377-97-6) by Aladdin Scientific

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Disponível para encomenda

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

Sorrisos canónicos

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)Br

IUPAC Name

1-(4-bromophenyl)-2-(4-methylphenyl)sulfonylethanone

InChIKey

JGMRIHQYBXLTGM-UHFFFAOYSA-N

INCHI

1S/C15H13BrO3S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3

SMILES isoméricas

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)Br

PubChem CID

281446

Peso molecular

353.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Classe Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Sulfonyl - Sulfone - Organosulfur compound - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	353.200 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	351.977 Da
Monoisotopic Mass	351.977 Da
Topological Polar Surface Area	59.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	425.000
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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Revisões

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