2-Bromo-4-methylphenol - CAS 6627-55-0

Name: 2-Bromo-4-methylphenol
Brand: BOC Sciences
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Technical Data

IUPAC Name:	2-bromo-4-methylphenol
Description:	2-Bromo-4-methylphenol (CAS# 6627-55-0) is a useful synthetic intermediate. It was used in the synthesis of furan-2-ylmethylene thiazolidinediones as potent, and selective inhibitors of phosphoinositide 3-kinase γ. It was also a reactant used to prepare phosphoramidate and phosphorothioamidate analogs of amiprophos Me as potential antimalarial agents.
Molecular Weight:	187.03
Molecular Formula:	C7H7BrO
Canonical SMILES:	CC1=CC(=C(C=C1)O)Br
InChI:	InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChI Key:	MTIDYGLTAOZOGU-UHFFFAOYSA-N
Boiling Point:	213-214 °C
Melting Point:	213-214 °C
Purity:	98 %
Density:	1.547 g/cm³
Appearance:	Clear colourless to pale yellow liquid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002151
LogP:	2.46310

GHS Hazard Statement:	H302 (10.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112358498-A	Tetraaryloxy IVB group binuclear metal complex and preparation and application thereof	20201027
CN-112142775-A	Phenolphenanthroline IVB group metal complex and preparation and application thereof	20200915
CN-111943977-A	Bimetallic complex of aryloxy ether skeleton, preparation method and application	20200811
CN-111909196-A	IVB group-containing bimetallic complex catalyst and preparation method and application thereof	20200810
CN-111747976-A	Metal complex and preparation method and application thereof	20200630

PMID	Publication Date	Title	Journal
22059068	20110901	Bis(2-bromo-5-methyl-phen-oxy)methane	Acta crystallographica. Section E, Structure reports online
19558641	20090626	Determinants of the daily rhythm of blood fluidity	Journal of circadian rhythms
15904485	20050518	The effect of refurbishing a UK steel plant on PM10 metal composition and ability to induce inflammation	Respiratory research

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.96803
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4