Grundinformationen
- Standard-SMILES
c1ccc2sccc2c1- InChIKey
FCEHBMOGCRZNNI-UHFFFAOYSA-N- Summenformel
- C8H6S
- Durchschnittliche Molmasse
- 134,2 g/mol
- Monoisotopische Masse
- 134,01902119
Überblick
1-benzothiophene is a benzothiophene and a member of 1-benzothiophenes.
Namen und Bezeichner
- Bevorzugter Name
- Benzo(B)Thiophene
- IUPAC
- 1-benzothiophene
- Englischer Name
- benzothiophene
- Molmasse
- 0
Namen und Synonyme
Benzo[b]thiopheneThianaphthene95-15-81-BenzothiopheneBENZOTHIOPHENEBenzothiofuranThionaphthene1-ThiaindeneThianaphteneThianaphthenBENZO(B)THIOPHENEBenzothiophen
Weitere Namen anzeigen
NSC-47196DTXSID2052736073790YQ2GCHEBI:35858RefChem:118685DTXCID9031276CHEBI:35857202-395-7
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 101
Experimentelle und physikochemische Eigenschaften
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]
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Chemie und Industrie
Verwendung und Herstellung
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
Anbieter3 Anbieter
天津安浩生物科技有限公司[email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
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