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4-Bromo-2-(trifluoromethoxy)iodobenzene

4-Bromo-2-(trifluoromethoxy)iodobenzene - CAS 175278-12-3

Catalog:	BB013116
Product Name:	4-Bromo-2-(trifluoromethoxy)iodobenzene
CAS:	175278-12-3
Synonyms:	4-bromo-1-iodo-2-(trifluoromethoxy)benzene; 4-bromo-1-iodo-2-(trifluoromethoxy)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-iodo-2-(trifluoromethoxy)benzene
Description:	4-Bromo-2-(trifluoromethoxy)iodobenzene (CAS# 175278-12-3) is a useful research chemical.
Molecular Weight:	366.90
Molecular Formula:	C7H3BrF3IO
Canonical SMILES:	C1=CC(=C(C=C1Br)OC(F)(F)F)I
InChI:	InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
InChI Key:	IGWVTCXEZVURNB-UHFFFAOYSA-N
Boiling Point:	112 °C
Density:	2.182 g/cm³
MDL:	MFCD00179334
LogP:	3.95230

Publication Number	Title	Priority Date
US-2021253565-A1	Monoacylglycerol lipase modulators	20200210
WO-2021160602-A1	Monoacylglycerol lipase modulators	20200210
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
JP-2017079319-A	Organic transistor using benzobis (thiadiazole) derivative and organic electronic device using the same	20150319
JP-WO2015046404-A1	Treatment or prevention agent for pulmonary hypertension	20130926

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
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[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	365.83641
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	365.83641
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4