(3-Hydroxy-4-methylphenyl)boronic acid

RARECHEM AH PB 0188 · 5-Borono-2-methylphenol · 3-HYDROXY-4-METHYLPHENYLBORONIC ACID · 3-Hydroxy-4-methylbenzeneboronic acid · Boronic acid, B-(3-hydroxy-4-methylphenyl)- · 5-Borono-2-methylphenol, 4-Borono-2-hydroxytoluene, 5-Borono-o-cresol · 3-Hydroxy-4-methylphenylboronic acid（contains varying amounts of Anhydride）

https://huagongshe.com/de/chemical/4187664

Molekülstruktur von (3-Hydroxy-4-methylphenyl)boronic acid

Identifikatoren & physikalische Daten

CAS No.	216019-35-1
Summenformel	C7H9BO3
Durchschnittliche Molmasse	151,96 g/mol
Monoisotopische Masse	152,06447455 g/mol
SMILES	Cc1ccc(B(O)O)cc1O
InChIKey	BVFGFBGCIAWVMF-UHFFFAOYSA-N
PubChem CID	4187664
EC No.	899-695-9
DTXSID	DTXSID10400517

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	60,7
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	129
Siedepunkt	357.3±52.0 °C(Predicted)
Dichte	1.26±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	8.52±0.10(Predicted)
InChI	InChI=1S/C7H9BO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9-11H,1H3
InChIKey	BVFGFBGCIAWVMF-UHFFFAOYSA-N
SMILES	B(C1=CC=C(C)C(O)=C1)(O)O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2931900090