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5-Fluoro-2-methoxybenzyl Bromide

5-Fluoro-2-methoxybenzyl Bromide - CAS 700381-18-6

Catalog:	BB034053
Product Name:	5-Fluoro-2-methoxybenzyl Bromide
CAS:	700381-18-6
Synonyms:	2-(bromomethyl)-4-fluoro-1-methoxybenzene; 2-(bromomethyl)-4-fluoro-1-methoxybenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-(bromomethyl)-4-fluoro-1-methoxybenzene
Description:	5-Fluoro-2-methoxybenzyl Bromide (CAS# 700381-18-6) is a useful research chemical.
Molecular Weight:	219.05
Molecular Formula:	C8H8BrFO
Canonical SMILES:	COC1=C(C=C(C=C1)F)CBr
InChI:	InChI=1S/C8H8BrFO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChI Key:	LXUGHXUXEMUEKR-UHFFFAOYSA-N
Boiling Point:	236.8 °C at 760 mmHg
Density:	1.488 g/cm³
MDL:	MFCD00671769
LogP:	2.72920

Publication Number	Title	Priority Date
CN-111909092-A	Fluorine-containing substituted imidazole salt compound, preparation method thereof, medicinal composition and application thereof	20190510
WO-2020228596-A1	Substituted fluorine-containing imidazole salt compound, preparation method therefor, pharmaceutical composition thereof and use thereof	20190510
TW-202104192-A	Fluorine-containing substituted imidazole salt compounds, preparation method thereof, medicinal composition and application thereof	20190510
WO-2019184955-A1	Macrocyclic compounds as trk kinases inhibitors	20180328
AU-2019241260-A1	Macrocyclic compounds as TRK kinases inhibitors	20180328

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.97426
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.97426
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6