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2-Bromo-4-(trifluoromethoxy)iodobenzene

2-Bromo-4-(trifluoromethoxy)iodobenzene - CAS 883546-30-3

Catalog:	BB038837
Product Name:	2-Bromo-4-(trifluoromethoxy)iodobenzene
CAS:	883546-30-3
Synonyms:	2-bromo-1-iodo-4-(trifluoromethoxy)benzene; 2-bromo-1-iodo-4-(trifluoromethoxy)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-iodo-4-(trifluoromethoxy)benzene
Description:	2-Bromo-4-(trifluoromethoxy)iodobenzene (CAS# 883546-30-3) is a useful research chemical.
Molecular Weight:	366.90
Molecular Formula:	C7H3BrF3IO
Canonical SMILES:	C1=CC(=C(C=C1OC(F)(F)F)Br)I
InChI:	InChI=1S/C7H3BrF3IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H
InChI Key:	GOYKHWUVIXTALH-UHFFFAOYSA-N
Boiling Point:	245.6 °C at 760 mmHg
Density:	2.182 g/cm³
MDL:	MFCD07369009
LogP:	3.95230

Publication Number	Title	Priority Date
WO-2021003295-A1	Modulators of hsd17b13 and methods of use thereof	20190702
CN-110028394-B	Synthetic method of indanone and derivatives thereof	20190307
AU-2010276537-A1	Fused heterocyclic compounds as ion channel modulators	20090727
CA-2774715-A1	Fused heterocyclic compounds as ion channel modulators	20090727
CN-102725290-A	Fused heterocyclic compounds as ion channel modulators	20090727

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Related Functional Groups

Halides

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1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
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[4860-03-1]
1-Chlorohexadecane

GHS Hazard Statement:	H302 (100%): 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