2-(4-Bromophenyl)-2-propanol - CAS 2077-19-2

Catalog:	BB016270
Product Name:	2-(4-Bromophenyl)-2-propanol
CAS:	2077-19-2
Synonyms:	2-(4-bromophenyl)-2-propanol; 2-(4-bromophenyl)propan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)propan-2-ol
Description:	2-(4-Bromophenyl)-2-propanol (CAS# 2077-19-2) is a useful research chemical.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	CC(C)(C1=CC=C(C=C1)Br)O
InChI:	InChI=1S/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
InChI Key:	AOGYBHJTXLXRSM-UHFFFAOYSA-N
Boiling Point:	281.535 °C at 760 mmHg
Density:	1.403 g/cm³
Solubility:	Slightly soluble in water (1.4 g/L) (25°C)
Appearance:	White solid
MDL:	MFCD11870096
LogP:	2.67650

Publication Number	Title	Priority Date
CN-111675599-A	Method for catalyzing and oxidizing aromatic benzyl tertiary C-H bond into tertiary alcohol by metalloporphyrin	20200427
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021020363-A1	Heterocyclic compound	20190729
WO-2020168143-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
TW-202045498-A	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3