Benzo(b)thiophene, 4-methyl-
Basic information
- CAS
14315-11-8- Standard SMILES
Cc1cccc2sccc12- InChIKey
RPKWIZPGQZKQKY-UHFFFAOYSA-N- Molecular formula
- C9H8S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.03467143
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 4-methyl-
- IUPAC
- 4-methyl-1-benzothiophene
- English name
- 4-Methylbenzothiophene
- Molecular formula
- C9H8S
- Molecular weight
- 148.22
Names & synonyms
4-Methylbenzo[b]thiophene14315-11-8Benzo(b)thiophene, 4-methyl-Benzo[b]thiophene, 4-methyl-4-Methylbenzo(b)thiopheneUNII-32573KN5YU32573KN5YUDTXSID10162325RefChem:118202DTXCID4084816RPKWIZPGQZKQKY-UHFFFAOYSA-N4-Methyl-1-benzothiophene
Show more names
4-Methylbenzothiophene in isooctane4-METHYLBENZOTHIOPHENE ISO 9001：2015 REACH
4-METHYLBENZOTHIOPHENEMFCD049711884-methyl-benzo(b)thiophene4-Methyl-1-benzothiophene #SCHEMBL156152SCHEMBL289078DTXSID101623orb3029088
Database identifiers
- CAS
14315-11-8- PubChem CID
- 84345
- DTXSID
DTXSID10162325- UNII
- 32573KN5YU
- Nikkaji
- J130.653G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
LogP3.57
Physicochemical properties
- Melting point
- -6 · -6--4 °C
- Boiling point
- 55 · 55-57 °C(Press: 3 Torr)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 32573 KN5YU · 32573KN5YU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methylbenzothiophene is mainly used as organic synthetic building blocks for research and development and production in the fields of medicine and materials.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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