5-Chloro-3-methylbenzo[b]thiophene-2-carbaldehyde
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Basic information
- CAS
50451-78-0- Standard SMILES
Cc1c(C=O)sc2ccc(Cl)cc12- InChIKey
OEHWRIDKBQTMPG-UHFFFAOYSA-N- Molecular formula
- C10H7ClOS
- Average molar mass
- 210.68 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-methylbenzo[b]thiophene-2-carbaldehyde
- IUPAC
- 5-chloro-3-methyl-1-benzothiophene-2-carbaldehyde
- English name
- 5-Chloro-3-methylbenzo[b]thiophene-2-carbaldehyde
- Molecular formula
- C10H7ClOS
- Molecular weight
- 210.68
Names & synonyms
50451-78-05-chloro-3-methylbenzo[b]thiophene-2-carbaldehyde5-Chloro-3-methyl-benzo[b]thiophene-2-carbaldehyde5-chloro-3-methyl-1-benzothiophene-2-carbaldehydeMFCD01860285Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-3-methyl-5-chloro-3-methyl-benzothiophene-2-carbaldehydeSCHEMBL1254005OEHWRIDKBQTMPG-UHFFFAOYSA-NSBB094413AS-5858DB-087251
Show more names
5-Chloro-3-methylbenzo[b]thiophene-2-carboxaldehyde
AN-278/25047015F316971
Database identifiers
- CAS
50451-78-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 176 · 176-179 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 353.1 · 353.1±37.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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