4-Bromo-N-[2-(TBDMSO)ethyl]benzenesulfonamide - ≥98% , CAS No.850429-52-6

CAS: 850429-52-6 Cat. No.: B186970 Molecular Weight: 394.4 PubChem CID: 44119632
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
MFCD06659896 | AKOS015888945 | F87404 | DTXSID00657336 | 4-Bromo-N-[2-(tert-butyldimethylsilyloxy)ethyl]benzenesulphonamide | 4-Bromo-N-[2-(TBDMSO)ethyl]benzenesulfonamide | 4-Bromo-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]benzenesulfonamide | BS
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
B186970-5g
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$33.90

$50.90
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25g
B186970-25g
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$84.90

$127.90
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100g
B186970-100g
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$267.90

$401.90
Save $134.00 (33.34%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Synonyms
MFCD06659896 | AKOS015888945 | F87404 | DTXSID00657336 | 4-Bromo-N-[2-(tert-butyldimethylsilyloxy)ethyl]benzenesulphonamide | 4-Bromo-N-[2-(TBDMSO)ethyl]benzenesulfonamide | 4-Bromo-N-[2-[[(1, 1-dimethylethyl)dimethylsilyl]oxy]ethyl]benzenesulfonamide | BS
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)(C)[Si](C)(C)OCCNS(=O)(=O)C1=CC=C(C=C1)Br
IUPAC Name4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzenesulfonamide
InChIKeyMDGPCUSYXKGALX-UHFFFAOYSA-N
INCHI1S/C14H24BrNO3SSi/c1-14(2,3)21(4,5)19-11-10-16-20(17,18)13-8-6-12(15)7-9-13/h6-9,16H,10-11H2,1-5H3
Isomeric SMILES CC(C)(C)[Si](C)(C)OCCNS(=O)(=O)C1=CC=C(C=C1)Br
PubChem CID 44119632
Molecular Weight 394.4

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Benzenesulfonyl compounds  Bromobenzenes  Organosulfonamides  Aryl bromides  Trialkylheterosilanes  Aminosulfonyl compounds  Silyl ethers  Organic metalloid salts  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Trialkylheterosilane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Silyl ether - Organoheterosilane - Organic metalloid salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosilicon compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight394.400 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass393.043 Da
Monoisotopic Mass393.043 Da
Topological Polar Surface Area63.800 Ų
Heavy Atom Count21
Formal Charge0
Complexity420.000
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
Solution Calculators
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