2,3-Methylenedioxyphenyl boronic acid

HCID 4192659CAS 361456-68-0

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Grundinformationen

Standard-SMILES: OB(O)c1cccc2c1OCO2
InChIKey: BEIKNVAUEWMMAZ-UHFFFAOYSA-N
Summenformel: C7H7BO4
Durchschnittliche Molmasse: 165,94 g/mol
Monoisotopische Masse: 166,0437389

Namen und Bezeichner

Bevorzugter Name: 2,3-Methylenedioxyphenyl boronic acid
IUPAC: 1,3-benzodioxol-4-ylboronic acid
Englischer Name: Boronic acid, 1,3-benzodioxol-4-yl- (9CI)
Summenformel: C7H7BO4
Molmasse: 165.94

Namen und Synonyme

2,3-Methylenedioxyphenyl boronic acidRefChem:442608801-038-8361456-68-0Benzo[d][1,3]dioxol-4-ylboronic acid2,3-METHYLENEDIOXYPHENYLBORONIC ACID1,3-benzodioxol-4-ylboronic acidMFCD030951134-Benzodioxoleboronic AcidBoronic acid, 1,3-benzodioxol-4-yl-Boronic acid, 1,3-benzodioxol-4-yl- (9CI)(2H-1,3-BENZODIOXOL-4-YL)BORONIC ACID

Weitere Namen anzeigen

Boronic acid, B-1,3-benzodioxol-4-yl-B-benzo[d][1,3]dioxol-4-ylboronic acid(2H-1,3-benzodioxol-4-yl)boronic acid - [B23287]

2H-1,3-BENZODIOXOL-4-YLBORONIC ACID1,3-BENZODIOXOLE-4SCHEMBL962423SCHEMBL29670249DTXSID50400617BEIKNVAUEWMMAZ-UHFFFAOYSA-N2,3-methylenedioxyphenylboronicacid(1,3-dioxaindan-4-yl)boronic acid

Datenbank-Bezeichner

CAS: 361456-68-0
PubChem CID: 4192659
DTXSID: DTXSID50400617
EC Number: 801-038-8
Nikkaji: J2.502.227K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 58,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 360.2 · 360.2±52.0 °C(Predicted)
Dichte: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.12 · 8.12±0.20(Predicted)

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.