Benzo(B)Thiophene
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Basic information
- CAS
11095-43-5- Standard SMILES
c1ccc2sccc2c1- InChIKey
FCEHBMOGCRZNNI-UHFFFAOYSA-N- Molecular formula
- C8H6S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.01902119
Overview
1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.
Names & identifiers
- Preferred name
- Benzo(B)Thiophene
- IUPAC
- 1-benzothiophene
- English name
- benzothiophene
- Molecular weight
- 0
Names & synonyms
Benzo[b]thiopheneThianaphthene95-15-81-BenzothiopheneBENZOTHIOPHENEBenzothiofuranThionaphthene1-ThiaindeneThianaphteneThianaphthenBENZO(B)THIOPHENEBenzothiophen
Show more names
NSC-47196DTXSID2052736073790YQ2GCHEBI:35858RefChem:118685DTXCID9031276CHEBI:35857202-395-7
Database identifiers
- CAS
11095-43-5、95-15-8- PubChem CID
- 7221
- DTXSID
DTXSID2052736- ChEMBL
CHEMBL87112- ChEBI
CHEBI:35858- UNII
- 073790YQ2G
- EC Number
- 202-395-7
- Nikkaji
- J4.710D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure0.99 [mmHg]
Physical DescriptionSolid with an odor like naphthalene; mp = 32 deg C; [Merck Index] White crystals with an unpleasant odor; mp =28-32 deg C; [Alfa Aesar MSDS]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Benzothiophene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild skin irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Thiophene and Dibenzothiophene.
Hazard Classes and CategoriesAcute Tox. 4 (98.1%)
Chemistry & industry
Uses & manufacturing
UsesFound in lignite tar; Used to make pharmaceuticals and thioindigo; [Merck Index]
Household ProductsInformation on 2 consumer products that contain Thianaphthene in the following categories is provided:
General Manufacturing InformationBenzo[b]thiophene: ACTIVE
Additional notes
DefinitionChEBI: 1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.
Related reactions
276 records
Compound notes
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