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4-Fluoro-2-methylbenzyl Bromide

4-Fluoro-2-methylbenzyl Bromide - CAS 862539-91-1

Catalog:	BB037869
Product Name:	4-Fluoro-2-methylbenzyl Bromide
CAS:	862539-91-1
Synonyms:	1-(bromomethyl)-4-fluoro-2-methylbenzene; 1-(bromomethyl)-4-fluoro-2-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-4-fluoro-2-methylbenzene
Description:	4-Fluoro-2-methylbenzyl Bromide (CAS# 862539-91-1) is a useful research chemical.
Molecular Weight:	203.05
Molecular Formula:	C8H8BrF
Canonical SMILES:	CC1=C(C=CC(=C1)F)CBr
InChI:	InChI=1S/C8H8BrF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3
InChI Key:	DAKPIAWEPVZDNG-UHFFFAOYSA-N
Boiling Point:	221.4 °C at 760 mmHg
Density:	1.456 g/cm³
MDL:	MFCD03701059
LogP:	3.02900

Publication Number	Title	Priority Date
WO-2021047622-A1	Pyridine oxynitride, preparation method therefor and use thereof	20190912
WO-2021023858-A1	TrkB POSITIVE ALLOSTERIC MODULATORS	20190808
WO-2020191056-A1	Pyridazinones and methods of use thereof	20190320
WO-2019196953-A1	Ntcp inhibitors	20180413
CN-112218878-A	NTCP inhibitors	20180413

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H319 (14.29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (28.57%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	105
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:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9