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

CAS: 31377-97-6 Cat. No.: B1051849 Formule: C15H13BrO3S Poids moléculaire: 353.24 PubChem CID: 281446
DISPONIBLE À COMMANDE
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
1mg
B1051849-1mg
Sur commande · 8–12 semaines
257,63€
5mg
B1051849-5mg
Sur commande · 8–12 semaines
274,99€
10mg
B1051849-10mg
Sur commande · 8–12 semaines
307,96€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Conditions de stockage de stockage
Room temperature
Noms et identifiants
Sourires canoniques
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
Isomères SMILES
CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)Br
PubChem CID
281446
Poids moléculaire
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.

Look up COA →

📊 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

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Tosyl compounds  Benzenesulfonyl compounds  Benzoyl derivatives  Aryl alkyl ketones  Bromobenzenes  Aryl bromides  Sulfones  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire353.200 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass351.977 Da
Monoisotopic Mass351.977 Da
Topological Polar Surface Area59.600 Ų
Heavy Atom Count20
Formal Charge0
Complexity425.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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