4-Bromo-3-chlorobenzyl Alcohol - CAS 120077-68-1

Catalog:	BB004707
Product Name:	4-Bromo-3-chlorobenzyl Alcohol
CAS:	120077-68-1
Synonyms:	(4-bromo-3-chlorophenyl)methanol; (4-bromo-3-chlorophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-bromo-3-chlorophenyl)methanol
Description:	4-Bromo-3-chlorobenzyl Alcohol (CAS# 120077-68-1) is a useful research chemical.
Molecular Weight:	221.48
Molecular Formula:	C7H6BrClO
Canonical SMILES:	C1=CC(=C(C=C1CO)Cl)Br
InChI:	InChI=1S/C7H6BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key:	QXKNNVRGECWRKK-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2021130492-A1	Carboxy derivatives with antiinflammatory properties	20191223
AU-2016357927-A1	Macrocyclic broad spectrum antibiotics	20151120
CA-3005674-A1	Macrocyclic broad spectrum antibiotics	20151120
EP-3377473-A1	Macrocyclic broad spectrum antibiotics	20151120
JP-2019502659-A	Macrocyclic wide-area antibiotics	20151120

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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

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:	2.4