Grundinformationen
- Standard-SMILES
Cc1csc2ccccc12- InChIKey
SEBRPHZZSLCDRQ-UHFFFAOYSA-N- Summenformel
- C9H8S
- Durchschnittliche Molmasse
- 148,23 g/mol
- Monoisotopische Masse
- 148,03467126
Namen und Bezeichner
- Bevorzugter Name
- 3-Methylbenzo[b]thiophene
- IUPAC
- 3-methyl-1-benzothiophene
- Lokaler Name
- 3-methylbenzo[b]thiophen
- Englischer Name
- 3-METHYLBENZO[B]THIOPHENE
- Summenformel
- C9H8S
- Molmasse
- 148.22
Namen und Synonyme
3-Methylbenzo[b]thiophene3-Methylbenzothiophene3-Methylthianaphthene3-Methylbenzo(b)thiophene3-Methylbenzylthiophene7A0P7EI9XFNSC 267241EINECS 215-934-6UNII-7A0P7EI9XFNSC-267241DTXSID80745263-Methylbenzo[b)thiophene
Weitere Namen anzeigen
3MBBTBUTTPARK 147\16-643-Methylthioindene3-METHYLBENZO[B]THIOMethylbenzobthiophene3-Methyl-1-thiaindeneBenzothiophene, 4-methyl3-Methyl-1-benzothiophene
3Methylthioindene3Methyl1thiaindene3Methylthianaphthene3MethylbenzothiopheneBenzothiophene, 3methylRefChem:94834Benzo(b)thiophene, 3methylDTXCID4034732
Datenbank-Bezeichner
- CAS
1455-18-1- PubChem CID
- 73817
- DTXSID
DTXSID8074526- UNII
- 7A0P7EI9XF
- EC Number
- 215-934-6
- Nikkaji
- J298.639F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 122
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Thiophenes
Physical DescriptionColorless liquid with a stench; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -40 °C · -40°C
- Siedepunkt
- 72 · 72-74 °C2 mm Hg(lit.)
- Dichte
- 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.6240(lit.)
- Flammpunkt
- 220 °F · 220 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Yellow to Orange
- Wichte
- 1.106 · 1.106
- BRN
- 111282 · 111282
- InChI
- 1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
- InChIKey
- SEBRPHZZSLCDRQ-UHFFFAOYSA-N
- SMILES
- Cc1csc2ccccc12
- CAS Datenbank
- 1455 · 1455-18-1(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Methylbenzo[b]thiophene (1455-18-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazards SummaryAn eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Benzothiophene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 22
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
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