Grundinformationen
- Standard-SMILES
Cc1sccc1B(O)O- InChIKey
IOZXRAJFXAKLNI-UHFFFAOYSA-N- Summenformel
- C5H7BO2S
- Durchschnittliche Molmasse
- 141,99 g/mol
- Monoisotopische Masse
- 142,02598086
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylthiophene-3-boronic acid
- IUPAC
- (2-methylthiophen-3-yl)boronic acid
- Englischer Name
- (2-Methylthiophen-3-yl)boronic acid
- Summenformel
- C5H7BO2S
- Molmasse
- 141.98
Namen und Synonyme
2-methylthiophene-3-boronic acidRefChem:476299846-800-0177735-10-3(2-Methylthiophen-3-yl)boronic acid2-methyl-3-thiopheneboronic acid(2-Methyl-3-thienyl)boronic acidMFCD12032042Boronic acid, B-(2-methyl-3-thienyl)-SCHEMBL577560DTXSID406194182-Methyl-thiophene-3-boronic acid
Weitere Namen anzeigen
2-METHYLTHIOPHENE-3-BORONIC ACID(RS20016085)(2-Methylthiophen-3-yl)boronic acid (contains varying amounts of Anhydride)
GS-5788SY022596F11322A852395AKOS015892931DB-010480EN300-212541F215106
Datenbank-Bezeichner
- CAS
177735-10-3- PubChem CID
- 21884630
- DTXSID
DTXSID40619418- EC Number
- 846-800-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 68,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Siedepunkt
- 299.5 · 299.5±42.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- pka
- 8.33 · 8.33±0.58(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sicherheitsdaten
- hs_code
- 2934999090
Chemie und Industrie
Anwendungen
Verwenden2-Methylthiophene-3-boronic acid (cas# 177735-10-3) is used as a reagent in the preparation of functionalized heterocycles as antiviral agents.
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