(5-Phenylthiophen-2-yl)boronic acid

HCID 2776315

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Grundinformationen

CAS: 306934-95-2
Standard-SMILES: OB(O)c1ccc(-c2ccccc2)s1
InChIKey: RBSMKSPHBJFXCJ-UHFFFAOYSA-N
Summenformel: C10H9BO2S
Durchschnittliche Molmasse: 204,06 g/mol
Monoisotopische Masse: 204,0416309

Namen und Bezeichner

Bevorzugter Name: (5-Phenylthiophen-2-yl)boronic acid
IUPAC: (5-phenylthiophen-2-yl)boronic acid
Englischer Name: 5-Phenyl-2-thienylboronic acid
Summenformel: C10H9BO2S
Molmasse: 204.05

Namen und Synonyme

(5-phenylthiophen-2-yl)boronic Acid(5-Phenylthien-2-yl)boronic acidRefChem:404184973-409-3306934-95-25-PHENYL-2-THIENYLBORONIC ACID5-Phenylthiophene-2-boronic acidMFCD01114643Boronic acid, B-(5-phenyl-2-thienyl)-5-phenylthiophen-2-ylboronic acidAKOS BRN-0521SCHEMBL290143

Weitere Namen anzeigen

5-phenyl-2-thinylboronic acid2-Phenylthiophene-5-boronic acid2-Phenyl-5-thiopheneboronic acid5-phenylthiophen-2 -boronic acid

5-Phenyl-2-thiopheneboronic acidDTXSID803799835-phenyl-thiophen-2-boronic acidRBSMKSPHBJFXCJ-UHFFFAOYSA-N(5-phenyl-2-thienyl)boronic acidBDBM773720(5-Phenylthiophen-2-yl)boronicacidGMA93495

Datenbank-Bezeichner

CAS: 306934-95-2
PubChem CID: 2776315
DTXSID: DTXSID80379983
EC Number: 973-409-3
Nikkaji: J1.976.357I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 183

Physikochemische Eigenschaften

Schmelzpunkt: 140 °C · 140 °C
Siedepunkt: 412.9 · 412.9±47.0 °C(Predicted)
Dichte: 1.29 · 1.29±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: solid
pka: 8.49 · 8.49±0.53(Predicted)
InChI: 1S/C10H9BO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7,12-13H
InChIKey: RBSMKSPHBJFXCJ-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(s1)-c2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.