Benzo[b]thiophene-2-carboxaldehyde - CAS 3541-37-5
Catalog: |
BB022632 |
Product Name: |
Benzo[b]thiophene-2-carboxaldehyde |
CAS: |
3541-37-5 |
Synonyms: |
1-benzothiophene-2-carbaldehyde |
IUPAC Name: | 1-benzothiophene-2-carbaldehyde |
Description: | Benzo[b]thiophene-2-carboxaldehyde (CAS# 3541-37-5) is a useful research chemical. |
Molecular Weight: | 162.21 |
Molecular Formula: | C9H6OS |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(S2)C=O |
InChI: | InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H |
InChI Key: | NXSVNPSWARVMAY-UHFFFAOYSA-N |
Boiling Point: | 90 °C (0.1 torr) |
Melting Point: | 32-36 °C |
Purity: | 95 % |
Density: | 1.3 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD01075041 |
LogP: | 2.71380 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21545086 | 20110603 | Palladium-catalyzed domino C-S coupling/carbonylation reactions: an efficient synthesis of 2-carbonylbenzo[b]thiophene derivatives | Organic letters |
19795856 | 20091106 | P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone | The Journal of organic chemistry |
21581636 | 20081220 | 1-Benzothio-phene-2-carbaldehyde 4-ethyl-thio-semicarbazone | Acta crystallographica. Section E, Structure reports online |
18057629 | 20071201 | (Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected] | Acta crystallographica. Section C, Crystal structure communications |
14521413 | 20031009 | Novel derivatives of benzo[b]thieno[2,3-c]quinolones: synthesis, photochemical synthesis, and antitumor evaluation | Journal of medicinal chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.01393598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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