2-Bromo-5-chlorobenzyl Alcohol - CAS 60666-70-8

Name: 2-Bromo-5-chlorobenzyl Alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030767
Product Name:	2-Bromo-5-chlorobenzyl Alcohol
CAS:	60666-70-8
Synonyms:	(2-bromo-5-chlorophenyl)methanol; (2-bromo-5-chlorophenyl)methanol

Technical Data

IUPAC Name:	(2-bromo-5-chlorophenyl)methanol
Description:	2-Bromo-5-chlorobenzyl Alcohol (CAS# 60666-70-8) is used to prepare fluorodihydrohydroxy benzoxaborole for potential treatment of onychomycosis. It is also an intermediate used to synthesize morpholylureas as potent and selective inhibitors of AKR1C3.
Molecular Weight:	221.48
Molecular Formula:	C7H6BrClO
Canonical SMILES:	C1=CC(=C(C=C1Cl)CO)Br
InChI:	InChI=1S/C7H6BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChI Key:	YOLUSOFTODTRQV-UHFFFAOYSA-N
Boiling Point:	290.1 °C at 760 mmHg
Density:	1.685 g/cm³
MDL:	MFCD09261147
LogP:	2.59480

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.92906
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.92906
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9