6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
Grundinformationen
- CAS
63675-74-1- Standard-SMILES
COc1ccc(-c2cc3ccc(OC)cc3s2)cc1- InChIKey
HRWAGCVMOGWQJF-UHFFFAOYSA-N- Summenformel
- C16H14O2S
- Durchschnittliche Molmasse
- 270,3 g/mol
- Monoisotopische Masse
- 270,07145086
Namen und Bezeichner
- Bevorzugter Name
- 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
- IUPAC
- 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
- Englischer Name
- 6-Methoxy-2-(4-methoxyphenyl)benzobithiophene
- Summenformel
- C16H14O2S
- Molmasse
- 270.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
63675-74-1- PubChem CID
- 850941
- DTXSID
DTXSID20213054- EC Number
- 264-408-2
- Nikkaji
- J286.540H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 46,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 288
Physikochemische Eigenschaften
- Schmelzpunkt
- 191 · 191-197 °C(lit.)
- Siedepunkt
- 435.7 · 435.7±35.0 °C(Predicted)
- Dichte
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform
- Aggregatzustand
- Solid
- Farbe
- Off-White to Pale Yellow
- InChI
- InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3
- InChIKey
- HRWAGCVMOGWQJF-UHFFFAOYSA-N
- SMILES
- C12=CC(OC)=CC=C1C=C(C1=CC=C(OC)C=C1)S2
- CAS Datenbank
- 63675 · 63675-74-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.
Warning
H302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (27.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (27.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (27.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (27.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (18.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 11 reports by companies.;There are 5 notifications provided by 10 of 11 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934.99.4400
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenIntermediate in the production of Reloxifene impurities
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