(4-Aminophenyl)boronic acid hydrochloride

HCID 2734614

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Grundinformationen

CAS: 80460-73-7
Standard-SMILES: Cl.Nc1ccc(B(O)O)cc1
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
Summenformel: C6H9BClNO2
Durchschnittliche Molmasse: 173,41 g/mol
Monoisotopische Masse: 173,04148661

Namen und Bezeichner

Bevorzugter Name: (4-Aminophenyl)boronic acid hydrochloride
IUPAC: (4-aminophenyl)boronic acid;hydrochloride
Englischer Name: 4-AMINOPHENYLBORONIC ACID HYDROCHLORIDE
Summenformel: C6H9BClNO2
Molmasse: 173.4

Namen und Synonyme

(4-aminophenyl)boronic Acid HydrochlorideRefChem:402413623-030-180460-73-74-Aminophenylboronic acid hydrochloride4-Aminobenzeneboronic acid hydrochlorideMFCD03001333(4-aminophenyl)boronic acid;hydrochloride4-AMINOPHENYLBORONIC ACID HCL(4-aminophenyl)boronicAcidHydrochlorideAC-69794-aminophenyl-boronic acid hydrochloride

Weitere Namen anzeigen

Aminophenylboronic acid(4-boronophenyl)azanium4-aminophenylboric acid4-AminophenylboronicacidCHl4-Boronoaniline hydrochloride4-AMINOBENZENEBORONIC ACID, HCL4-Aminophenylboronic acid salt,B-(4-Aminophenyl)boronic acid HCl4-Aminophenylboronic acid HCl Salt

SY017592SC-521504-Aminophenylboronic acid, HClBoronic acid, (4-aminophenyl)-, hydrochlorideSCHEMBL409374-borono-benzenaminium chlorideDTXSID80370394RB3072

Datenbank-Bezeichner

CAS: 80460-73-7
PubChem CID: 2734614
DTXSID: DTXSID80370394
EC Number: 623-030-1

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: 102

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-143°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Beige
Stabilität: Hygroscopic
InChI: InChI=1S/C6H8BNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
SMILES: B(C1C=CC(N)=CC=1)(O)O.Cl
CAS Datenbank: 80460 · 80460-73-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (87%)

Sicherheitsdaten

wgk: 1
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-36-60-44-20/21
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Aminophenylboronic acid hydrochloride can be used to prepare:The modified reduced graphene composite material used as a sugar sensor to detect the analyte in fruit juice.The modified carbon electrode adsorbed with aminophenol, used for the detection of NADH and H2O2.The boron, nitrogen, and sulfur-doped carbon dot sensor, which in turn can be used for the detection of ascorbic acid.