4-Hydroxy-2-methylbenzeneboronic acid
Grundinformationen
- CAS
493035-82-8- Standard-SMILES
Cc1cc(O)ccc1B(O)O- InChIKey
OYIYNIONWDBJIF-UHFFFAOYSA-N- Summenformel
- C7H9BO3
- Durchschnittliche Molmasse
- 151,96 g/mol
- Monoisotopische Masse
- 152,06447455
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxy-2-methylbenzeneboronic acid
- IUPAC
- (4-hydroxy-2-methylphenyl)boronic acid
- Englischer Name
- (4-Hydroxy-2-methyl)phenylboronic acid
- Summenformel
- C7H9BO3
- Molmasse
- 151.96
Namen und Synonyme
4-Hydroxy-2-methylbenzeneboronic acidB-(4-Hydroxy-2-methylphenyl)boronic acidRefChem:523757640-740-7493035-82-84-Hydroxy-2-methylphenylboronic acid(4-hydroxy-2-methylphenyl)boronic acid(4-Hydroxy-2-methyl)phenylboronic acidMFCD03788424BORONIC ACID, (4-HYDROXY-2-METHYLPHENYL)-4-Borono-3-methylphenolCS-W000945
Weitere Namen anzeigen
Tavaborole Impurity 3Adipic Acid Impurity 115-hydroxytoluene-2-boronic acid4-Hydroxy-2-methylphenylboronicaci4-Hydroxy-2-methylphenylboronic aicd2-Hydroxy-2-methylphenylboronic acid(4-HYDROXY-2-METHYL)BENZENEBORONIC ACID
AB16000H1495(4-Hydroxy-2-methyl)phenylboronic acid, AldrichCPR(4-hydroxy-2-methyl-phenyl)boronic Acid4-Hydroxy-2-methylphenD7CWY7WL2GSCHEMBL481471SCHEMBL29534800
Datenbank-Bezeichner
- CAS
493035-82-8- PubChem CID
- 2773448
- DTXSID
DTXSID10378464- UNII
- D7CWY7WL2G
- EC Number
- 640-740-7
- Nikkaji
- J3.470.107E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Schmelzpunkt
- 100 · 100-104°C
- Siedepunkt
- 361.4 · 361.4±52.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 9.17 · 9.17±0.58(Predicted)
- Farbe
- White to Almost white
- InChI
- 1S/C7H9BO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9-11H,1H3
- InChIKey
- OYIYNIONWDBJIF-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)ccc1B(O)O
- CAS Datenbank
- 493035 · 493035-82-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 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
- WGK 3
- hs_code
- 2931900090
- risk_code
- 36/37/38-41
- hazard_code
- Xi
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwendensuzuki reaction
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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