(3-Bromo-2-methylphenyl)methanol

3-BroMo-2-Methylbenzyl alcohol · 2-methyl-3-bromobenzyl alcohol · (3-broMo-2-Methylphenyl)Methano · (3-broMo-2-Methylphenyl)Methanol · 3-Bromo-2-methylbenzylalcohol97% · 3-Bromo-2-methyl-benzenemethanol · 3-Bromo-2-methylbenzyl alcohol 97% · Benzenemethanol, 3-bromo-2-methyl-

https://huagongshe.com/de/chemical/10035697

Molekülstruktur von (3-Bromo-2-methylphenyl)methanol

Identifikatoren & physikalische Daten

CAS No.	83647-43-2
Summenformel	C8H9BrO
Durchschnittliche Molmasse	201,06 g/mol
Monoisotopische Masse	199,98367701 g/mol
SMILES	Cc1c(Br)cccc1CO
InChIKey	XYDXDWXAAQXHLK-UHFFFAOYSA-N
PubChem CID	10035697
EC No.	112-305-7
DTXSID	DTXSID30434495

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	105
Schmelzpunkt	103-104 °C(Solv: benzene (71-43-2))
Siedepunkt	286.4±25.0 °C(Predicted)
Dichte	1.481±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	crystalline needles
pKa (Säurekonstante)	14.29±0.10(Predicted)
Farbe	Faint beige to faint brown

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2906290090

Anwendungen & Verwendung

Beschreibung

3-Bromo-2-methylbenzyl alcohol is a pharmaceutical intermediate, which is obtained by esterification and reduction of 3-bromo-2-methylbenzoic acid. Literature reports that 3-bromo-2-methylbenzyl alcohol can be used to prepare fused ring compounds as PD-1/PD-L1 inhibitors, which have the advantages of high activity, high bioavailability, drug stability, and oral administration.