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Benzo[b]thiophene-3-carboxaldehyde

Catalog Number
ACM5381204-2
CAS Number
5381-20-4
Product Name
Benzo[b]thiophene-3-carboxaldehyde
Category
Small Molecule Semiconductor Building Blocks; Semiconductor Blocks
Synonyms
3-Formylbenzo[b]thiophene
IUPAC Name
1-benzothiophene-3-carbaldehyde
Molecular Weight
162.21
Molecular Formula
C9H6OS
Canonical SMILES
C1=CC=C2C(=C1)C(=CS2)C=O
InChI
InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
InChI Key
WDJLPQCBTBZTRH-UHFFFAOYSA-N
Boiling Point
133 °C/4 mmHg
Melting Point
58 °C
Purity
>98.0%(GC)
Density
Air Sensitive
Appearance
White to Orange to Green powder to crystal
Application
Benzo[b]thiophene-3-carboxaldehyde, a yellow to brown crystalline powder, serves as a critical starting material in synthetic chemistry. Its primary purpose is to facilitate the multi-step synthesis of complex compounds like anthra[2,3-b:7,6-b']bis[1benzothiophenes (ABBTs). Additionally, it is utilized in creating diverse chemical structures such as 6-(N,N-dimethylamino)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one, 6-(pyrrolidin-1-yl)-2-(benzo[b]thiophen-3-yl)quinazolin-4-one, and (Z)-2-(benzo-[b]-thio-phen-3-yl-methyl-ene)-1-aza-bi-cyclo-[2.2.2]-octan-3-one. These applications highlight its significance in advancing chemical research and development.
Storage
Store under inert gas
Complexity
158
Covalently-Bonded Unit Count
1
EC Number
611-051-9
Exact Mass
162.013936g/mol
Formal Charge
0
Heavy Atom Count
11
MDL Number
MFCD00052376
Monoisotopic Mass
162.013936g/mol
NSC Number
18872
Rotatable Bond Count
1
XLogP3
2.6
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