3-Bromo-4-fluorobenzyl Alcohol - CAS 77771-03-0

Catalog:	BB036030
Product Name:	3-Bromo-4-fluorobenzyl Alcohol
CAS:	77771-03-0
Synonyms:	(3-bromo-4-fluorophenyl)methanol; (3-bromo-4-fluorophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-bromo-4-fluorophenyl)methanol
Description:	3-Bromo-4-fluorobenzyl Alcohol (CAS# 77771-03-0) is a useful research chemical.
Molecular Weight:	205.02
Molecular Formula:	C7H6BrFO
Canonical SMILES:	C1=CC(=C(C=C1CO)Br)F
InChI:	InChI=1S/C7H6BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChI Key:	HNVVROFWONXXGO-UHFFFAOYSA-N
Boiling Point:	250.5 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD00143093
LogP:	3.54920

Publication Number	Title	Priority Date
WO-2020119206-A1	Radioactive iodine-labelled larotrectinib compound, preparation method therefor and use thereof	20181212
WO-2019141131-A1	Bromodomain inhibitor compound and use thereof	20180116
AU-2017371674-A1	Benzenesulfonamide compounds and their use as therapeutic agents	20161209
BR-112019011121-A2	benzenesulfonamide compounds and their use as therapeutic agents	20161209
CA-3042004-A1	Benzenesulfonamide compounds and their use as therapeutic agents	20161209

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95861
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8