CAS 863753-30-4 2-Aminophenylboronic acid hydrochloride (HCID 16427090)

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Grundinformationen

CAS: 863753-30-4
Standard-SMILES: Cl.Nc1ccccc1B(O)O
InChIKey: WPDASZCYRKGSTO-UHFFFAOYSA-N
Summenformel: C6H9BClNO2
Durchschnittliche Molmasse: 173,41 g/mol
Monoisotopische Masse: 173,0414864

Namen und Bezeichner

Bevorzugter Name: 2-Aminophenylboronic acid hydrochloride
IUPAC: (2-aminophenyl)boronic acid;hydrochloride
Englischer Name: (2-Aminophenyl)boronic acid hydrochloride
Summenformel: C6H9BClNO2
Molmasse: 173.4

Namen und Synonyme

2-Aminophenylboronic acid hydrochlorideRefChem:465185687-335-1863753-30-4(2-Aminophenyl)boronic acid hydrochloride2-Aminophenylboronic acid, hydrochlorideMFCD02258096(2-aminophenyl)boronic acid;hydrochlorideBoronic acid, (2-aminophenyl)-, hydrochlorideDTXSID605860122-Aminophenylboronicacidhydrochloride(2-Aminophenyl)boronicacidhydrochloride

Weitere Namen anzeigen

2-(dihydroxyboranyl)anilinium chloride2-(2-AMinophenyl)boronic acid hydrochloride2-Aminophenylboronic acid hydrochloride, 97%,(2-Aminophenyl)boronic acid hydrochloride (1:1)Boronic acid,B-(2-aminophenyl)-, hydrochloride (1:1)

2-Aminophenylboronic acid HClAC-6978(2-boronophenyl)azanium;chloride(2-Aminophenyl)boronicSCHEMBL7310242-Amino Phenylboronic Acid HClSCHEMBL29955380(2-boronophenyl)ammonium;chloride

Datenbank-Bezeichner

CAS: 863753-30-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 66,5 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-118°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: White to off-white
InChI: 1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey: WPDASZCYRKGSTO-UHFFFAOYSA-N
SMILES: Cl.Nc1ccccc1B(O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 (97.5%)

Sicherheitsdaten

wgk: 3
hs_code: 2931900090
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

VerwendenReactant for:Preparation of small molecules with a trihydroxybenzene motif as pan-selectin antagonists and potential antiinflammatory agentsPreparation of designed boronate ligands for glucose-selective holographic sensors