2-Chloro-6-fluorobenzyl bromide - CAS 68220-26-8

Catalog:	BB033495
Product Name:	2-Chloro-6-fluorobenzyl bromide
CAS:	68220-26-8
Synonyms:	2-(bromomethyl)-1-chloro-3-fluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(bromomethyl)-1-chloro-3-fluorobenzene
Description:	2-Chloro-6-fluorobenzyl bromide (CAS# 68220-26-8) is a useful reactant and has been used in the synthesis of TGR5 agonists for possible treatment of type 2 diabetes.
Molecular Weight:	223.47
Molecular Formula:	C7H5BrClF
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)CBr)F
InChI:	InChI=1S/C7H5BrClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChI Key:	IGUVNNXFTDCASP-UHFFFAOYSA-N
Boiling Point:	222 °C at 760 mmHg
Purity:	95 %
Density:	1.629 g/cm³
Appearance:	Colorless to yellowish liquid
MDL:	MFCD00040126
LogP:	3.37400

Publication Number	Title	Priority Date
WO-2020228596-A1	Substituted fluorine-containing imidazole salt compound, preparation method therefor, pharmaceutical composition thereof and use thereof	20190510
US-10669272-B2	Substituted naphthyridinone compounds useful as T cell activators	20180627
US-2020109140-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
EP-3814348-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
US-10954238-B1	Substituted naphthyridinone compounds useful as T cell activators	20180627

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GHS Hazard Statement:	H314 (15.22%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.92472
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.92472
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2