3-(Methoxymethyl)benzeneboronic acid

HCID 3825855CAS 142273-84-5

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Grundinformationen

Standard-SMILES: COCc1cccc(B(O)O)c1
InChIKey: XOSGESMDNPVZKS-UHFFFAOYSA-N
Summenformel: C8H11BO3
Durchschnittliche Molmasse: 165,98 g/mol
Monoisotopische Masse: 166,0801244

Namen und Bezeichner

Bevorzugter Name: 3-(Methoxymethyl)benzeneboronic acid
IUPAC: [3-(methoxymethyl)phenyl]boronic acid
Englischer Name: 3-Methoxymethylphenylboronic acid
Summenformel: C8H11BO3
Molmasse: 165.98

Namen und Synonyme

3-(Methoxymethyl)benzeneboronic acidRefChem:495445800-834-2142273-84-53-Methoxymethylphenylboronic acid(3-(Methoxymethyl)phenyl)boronic acid3-(METHOXYMETHYL)PHENYLBORONIC ACID[3-(methoxymethyl)phenyl]boronic AcidMFCD03412069Boronic acid, B-[3-(methoxymethyl)phenyl]-(3-(Methoxymethyl)phenyl)boronic acid;3-Methoxymethylphenylboronic acidSCHEMBL8528

Weitere Namen anzeigen

AKOS BRN-02123-(Methoxymethyl)Phenylboronic3-Methoxymethylphenylboronicaci3-Methoxymethylphebylboronic acid3-METHOXYMETHYLBENZENEBORONIC ACID3-Methoxymethylphenylboronic acid ,97%

DTXSID10396941XOSGESMDNPVZKS-UHFFFAOYSA-N3-Methoxymethyl benzeneboronic acid(3-(Methoxymethyl)phenyl)boronicacidAKOS004116557PS-9447SY129263{3-[(methyloxy)methyl]phenyl}boronic acid

Datenbank-Bezeichner

CAS: 142273-84-5
PubChem CID: 3825855
DTXSID: DTXSID10396941
EC Number: 800-834-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Siedepunkt: 310.3 · 310.3±44.0 °C(Predicted)
Dichte: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.32 · 8.32±0.10(Predicted)
Aggregatzustand: solid
Farbe: White
CAS Datenbank: 142273 · 142273-84-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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 2 reports by companies from 1 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.