2-Bromo-5-(trifluoromethyl)benzyl Alcohol - CAS 869725-53-1

Catalog:	BB038150
Product Name:	2-Bromo-5-(trifluoromethyl)benzyl Alcohol
CAS:	869725-53-1
Synonyms:	[2-bromo-5-(trifluoromethyl)phenyl]methanol; [2-bromo-5-(trifluoromethyl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[2-bromo-5-(trifluoromethyl)phenyl]methanol
Description:	2-Bromo-5-(trifluoromethyl)benzyl Alcohol (CAS# 869725-53-1) is a useful research chemical.
Molecular Weight:	255.03
Molecular Formula:	C8H6BrF3O
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)CO)Br
InChI:	InChI=1S/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
InChI Key:	RXASTJJSPATSHH-UHFFFAOYSA-N
Boiling Point:	262.6 °C at 760 mmHg
Density:	1.667 g/cm³
MDL:	MFCD04973761
LogP:	2.96020

Publication Number	Title	Priority Date
CN-111825695-A	Oxazolidinone compound, preparation method, application and pharmaceutical composition thereof	20190415
AU-2018368332-A1	Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
TW-201922710-A	Novel substituted diaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
US-10647705-B2	Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
US-2019144433-A1	Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171114

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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:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.95541
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.95541
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6