2-Thiopheneboronic acid
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Grundinformationen
- CAS
6165-68-0- Standard-SMILES
OB(O)c1cccs1- InChIKey
ARYHTUPFQTUBBG-UHFFFAOYSA-N- Summenformel
- C4H5BO2S
- Durchschnittliche Molmasse
- 127,96 g/mol
- Monoisotopische Masse
- 128,0103307
Namen und Bezeichner
- Bevorzugter Name
- 2-Thiopheneboronic acid
- IUPAC
- thiophen-2-ylboronic acid
- Englischer Name
- 2-Thiopheneboronic acid
- Summenformel
- C4H5BO2S
- Molmasse
- 127.96
Namen und Synonyme
2-Thiopheneboronic acid2-Thienylboronic acidRefChem:483759612-186-6Thiophene-2-boronic acid6165-68-0thiophen-2-ylboronic acidMFCD00151850Thienylboronic acidthiophen-2-ylboranediol(thiophen-2-yl)boronic acidthiophene2-boronic acid
Weitere Namen anzeigen
TIMTEC-BB SBB0042432-thiophenylboric acidAKOS BRN-0022BUTTPARK 98\04-232-BoronothiopheneThienylboronic aciRARECHEM AH PB 0243
2-thiophen boronic acid2-thiophenylboronic acidthiophen-2-boronic acid2-thiophene boronic acidthiophene 2-boronic acidthiophenyl 2-boronic acidthiophen-2-yl-boronic acidthiophen-2-yl-2-boronic acid
Datenbank-Bezeichner
- CAS
6165-68-0- PubChem CID
- 2733960
- DTXSID
DTXSID60370059- ChEMBL
CHEMBL141272- EC Number
- 612-186-6
- Nikkaji
- J633.709K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 68,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 78
Physikochemische Eigenschaften
- Schmelzpunkt
- 138 · 138-140 °C (lit.)
- Siedepunkt
- 287.9 · 287.9±32.0 °C(Predicted)
- Dichte
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in methanol.
- pka
- 8.41 · 8.41±0.53(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Off-white to beige
- BRN
- 112375 · 112375
- Stabilität
- store cold
- InChI
- InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
- InChIKey
- ARYHTUPFQTUBBG-UHFFFAOYSA-N
- SMILES
- C1(B(O)O)SC=CC=1
- CAS Datenbank
- 6165 · 6165-68-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (84.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant/Keep Cold
- safety_code
- 26-36/37-37/39-36
- hazard_class
- IRRITANT, IRRITANT-HARMFUL, KEEP COLD
Chemie und Industrie
Anwendungen
Verwenden2-Thiopheneboronic acid can be used as reagent used for Palladium-catalyzed Suzuki-Miyaura cross-couplings; Alkylation, boration, coupling reaction, Suzuki coupling, and halogenation of fluorenyl bromide ;Chain-growth catalyst transfer polycondensation of conjugated alternating copolymer; Ferric perchlorate-promoted reaction of fullerene to give fullerenyl boronic esters.
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