(4-Methoxyphenyl)boronic acid

HCID 201262CAS 5720-07-0

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Grundinformationen

Standard-SMILES: COc1ccc(B(O)O)cc1
InChIKey: VOAAEKKFGLPLLU-UHFFFAOYSA-N
Summenformel: C7H9BO3
Durchschnittliche Molmasse: 151,96 g/mol
Monoisotopische Masse: 152,06447455

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: (4-Methoxyphenyl)boronic acid
IUPAC: (4-methoxyphenyl)boronic acid
Englischer Name: 4-Methoxyphenylboronic acid
Summenformel: C7H9BO3
Molmasse: 151.96

Namen und Synonyme

4-Methoxyphenylboronic acid5720-07-0(4-Methoxyphenyl)boronic acidBenzeneboronic acid, p-methoxy-DTXSID60205837RefChem:562987DTXCID90128328611-482-24-Methoxybenzeneboronic acidp-Methoxyphenylboronic acidp-Anisylboronic acidp-Methoxybenzeneboronic acid

Weitere Namen anzeigen

AKOS 91312AKOS BRN-00164-boronoanisoleBIO-FARMA BF000847TIMTEC-BB SBB004055RARECHEM AH PB 0191

MFCD000391394-methoxyphenylboronicacid4-Methoxyphenyl boronic acidBoronic acid, p-methoxyphenyl-BORONIC ACID, (4-METHOXYPHENYL)-4-methoxylphenylboronic acid4methoxyphenylboronic acid4-methoxy-phenylboronic acid

Datenbank-Bezeichner

CAS: 5720-07-0
PubChem CID: 201262
DTXSID: DTXSID60205837
ChEMBL: CHEMBL21427
EC Number: 611-482-2
Nikkaji: J54.864B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 204 · 204-206 °C(lit.)
Siedepunkt: 306.8 · 306.8±44.0 °C(Predicted)
Dichte: 1.17 · 1.17±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in dimethyl sulfoxide and methanol.
Aggregatzustand: Crystalline Powder
pka: 8.96 · 8.96±0.10(Predicted)
Farbe: White to light beige
BRN: 2936912 · 2936912
InChI: InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey: VOAAEKKFGLPLLU-UHFFFAOYSA-N
SMILES: B(C1=CC=C(OC)C=C1)(O)O
CAS Datenbank: 5720 · 5720-07-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.1%): 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)

Aggregated GHS information provided per 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 29310095
RTECS-Nr.: CY8975000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Methoxyphenylboronic acid can be used as a common organic reagent in Suzuki coupling reactions to study the N-arylation of imidazoles and amines catalyzed by copper exchange of calcium fluorophosphates.Reagent used in the preparation of various biological inhibitors.