2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-5-carbaldehyde - ≥95% , CAS No.953410-99-6

CAS: 953410-99-6 Cat. No.: B736196 Molecular Weight: 288.2 EC Number: 895-464-1 PubChem CID: 16414195
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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100mg
B736196-100mg
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250mg
B736196-250mg
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1g
B736196-1g
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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

Specifications & Purity
≥95%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesB1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=C3)C=O
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbaldehyde
InChIKeyZHGWYHIXAPDOAP-UHFFFAOYSA-N
INCHI1S/C15H17BO3S/c1-14(2)15(3,4)19-16(18-14)13-8-11-7-10(9-17)5-6-12(11)20-13/h5-9H,1-4H3
Isomeric SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=C3)C=O
PubChem CID 16414195
Molecular Weight 288.2

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiophenes
Subclass1-benzothiophenes
Intermediate Tree Nodes Not available
Direct Parent1-benzothiophenes
Alternative Parents 2,3,5-trisubstituted thiophenes  Aryl-aldehydes  Benzenoids  Heteroaromatic compounds  Dioxaborolanes  Boronic acid esters  Oxacyclic compounds  Organic metalloid salts  Organoboron compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzothiophene - 2,3,5-trisubstituted thiophene - Aryl-aldehyde - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Thiophene - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organoboron compound - Organic salt - Aldehyde - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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 Weight288.200 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass288.099 Da
Monoisotopic Mass288.099 Da
Topological Polar Surface Area63.800 Ų
Heavy Atom Count20
Formal Charge0
Complexity383.000
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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