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4-Bromo-1-chloro-2-(trifluoromethoxy)benzene

4-Bromo-1-chloro-2-(trifluoromethoxy)benzene - CAS 406232-79-9

Catalog:	BB024592
Product Name:	4-Bromo-1-chloro-2-(trifluoromethoxy)benzene
CAS:	406232-79-9
Synonyms:	4-bromo-1-chloro-2-(trifluoromethoxy)benzene; 4-bromo-1-chloro-2-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-chloro-2-(trifluoromethoxy)benzene
Description:	4-Bromo-1-chloro-2-(trifluoromethoxy)benzene (CAS# 406232-79-9) is a useful research chemical.
Molecular Weight:	275.45
Molecular Formula:	C7H3BrClF3O
Canonical SMILES:	C1=CC(=C(C=C1Br)OC(F)(F)F)Cl
InChI:	InChI=1S/C7H3BrClF3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H
InChI Key:	RIYJUHWBFADNIE-UHFFFAOYSA-N
Boiling Point:	194.278 °C at 760 mmHg
Density:	1.744 g/cm³
LogP:	4.00110

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
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WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2019192602-A1	Aromatic compound and preparation method therefor and use thereof	20180404

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.90079
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.90079
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4