(2,6-Dimethoxyphenyl)boronic acid

HCID 2734343

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Grundinformationen

CAS: 23112-96-1
Standard-SMILES: COc1cccc(OC)c1B(O)O
InChIKey: BKWVXPCYDRURMK-UHFFFAOYSA-N
Summenformel: C8H11BO4
Durchschnittliche Molmasse: 181,98 g/mol
Monoisotopische Masse: 182,07503923

Namen und Bezeichner

Bevorzugter Name: (2,6-Dimethoxyphenyl)boronic acid
IUPAC: (2,6-dimethoxyphenyl)boronic acid
Englischer Name: 2,6-Dimethoxyphenylboronic acid
Summenformel: C8H11BO4
Molmasse: 181.98

Namen und Synonyme

(2,6-dimethoxyphenyl)boronic acidRefChem:394701679-862-02,6-Dimethoxyphenylboronic acid23112-96-12,6-Dimethoxybenzeneboronic AcidMFCD01318987Boronic acid, B-(2,6-dimethoxyphenyl)-Boronic acid, (2,6-dimethoxyphenyl)-2,6-DIMETHOXYPHENYL-BORONIC ACID2,6-dimethoxyphenyl boronic acidDTXSID40370234

Weitere Namen anzeigen

AKOS BRN-0146TIMTEC-BB SBB003736RARECHEM AH PB 0108CHEMBRDG-BB 32009722,6-Dimethoxyphenylboronic(2,6-dimethoxyphenyl)boronicaci2, 6-dimethoxy-phenylboric acid2,6-Dimethoxyphenylboronic acid,97%

2,6-dimethoxybenzene boronic acidAC-24791BP-12137SY017987EN300-1198382,6-DimethoxyphenylboronicacidBCP19585AM86786

Datenbank-Bezeichner

CAS: 23112-96-1
PubChem CID: 2734343
DTXSID: DTXSID40370234
EC Number: 679-862-0
Nikkaji: J1.326.102D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 58,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-112 °C (lit.)
Siedepunkt: 372.8 · 372.8±52.0 °C(Predicted)
Dichte: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 8.58 · 8.58±0.58(Predicted)
Aggregatzustand: Powder
Farbe: White to beige
BRN: 3032352 · 3032352
InChI: InChI=1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKey: BKWVXPCYDRURMK-UHFFFAOYSA-N
SMILES: B(C1=C(OC)C=CC=C1OC)(O)O
CAS Datenbank: 23112 · 23112-96-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 37/39-26-36/37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Dimethoxyphenylboronic acid can be used as a reagent in:The palladium-catalyzed Suzuki-Miyaura coupling reaction to construct carbon-carbon bond.The synthesis of 2H-imidazo[1,5-a]pyridin-4-ium bromides, which are utilized as precursors for the preparation of N-heterocyclic carbene ligands.The preparation of monosubstituted benzothiazoloquinazolinones as potential monoamine oxidases inhibitors.Reactant for:Suzuki-Miyaura reactions