4-Fluorophenethyl bromide - CAS 332-42-3

Catalog:	BB021628
Product Name:	4-Fluorophenethyl bromide
CAS:	332-42-3
Synonyms:	1-(2-bromoethyl)-4-fluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-bromoethyl)-4-fluorobenzene
Description:	An intermediate in the production of protein A mimetics, serotonin antagonists, and other CNS agents.
Molecular Weight:	203.05
Molecular Formula:	C8H8BrF
Canonical SMILES:	C1=CC(=CC=C1CCBr)F
InChI:	InChI=1S/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChI Key:	FLRUNCJXOVYWDH-UHFFFAOYSA-N
Boiling Point:	100-104 °C / 15 mmHg (lit.)
Purity:	95 %
Density:	1.4498 g/mL at 25°C(lit.)
Appearance:	Clear slightly yellow liquid
MDL:	MFCD03844794
LogP:	2.76310

Publication Number	Title	Priority Date
CN-113493438-A	Tetrahydroisoquinoline compounds	20200320
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021018173-A1	Adenosine receptor antagonist	20190730
CN-110343197-B	Preparation method and antibacterial application of polymer type quaternary ammonium salt photocatalyst	20190624
CN-111777501-A	Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof	20190403

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.97934
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.97934
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2