1-Bromo-4-iodobenzene - CAS 589-87-7

Catalog:	BB030221
Product Name:	1-Bromo-4-iodobenzene
CAS:	589-87-7
Synonyms:	1-bromo-4-iodobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-iodobenzene
Description:	1-Bromo-4-iodobenzene (CAS# 589-87-7) is a reagent used to prepare aminomethyl-piperidones which are potential DPPY-IV inhibitors and has antidiabetic ativities.
Molecular Weight:	282.90
Molecular Formula:	C6H4BrI
Canonical SMILES:	C1=CC(=CC=C1Br)I
InChI:	InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H
InChI Key:	UCCUXODGPMAHRL-UHFFFAOYSA-N
Boiling Point:	120-122 ℃ (14 mmHg)
Density:	2.215 g/cm³
Appearance:	Light brown crystalline powder
MDL:	MFCD00001051
LogP:	3.05370
Vapor Pressure:	0.02 [mmHg]

Publication Number	Title	Priority Date
CN-113429388-A	Blue thermal activity delayed fluorescent material based on trifluoromethyl pyridine derivative receptor and application thereof	20210628
CN-113429402-A	Thermal activation delayed fluorescent material based on dibenzothiophene sulfone	20210621
CN-113292509-A	Aromatic thioether compound and preparation method and application thereof	20210611
CN-113354641-A	Organic compound and application thereof	20210604
CN-113249117-A	Mesoporous organic-inorganic silicon oxide with light-emitting property and preparation method thereof	20210520

PMID	Publication Date	Title	Journal
18816135	20081016	Copper-catalyzed one-pot multicomponent coupling reaction of phenols, amides, and 4-bromphenyl iodide	Organic letters
15861389	20050805	Orientational isomerism and binding ability of nonsymmetrical guests encapsulated in a self-assembling heterodimeric capsule	Chemistry (Weinheim an der Bergstrasse, Germany)
15026040	20040405	Synthesis of N tau-arylhistidine derivatives via direct N-arylation	Bioorganic & medicinal chemistry letters
12027661	20020530	ROMPgel-supported triphenylphosphine with potential application in parallel synthesis	Organic letters

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GHS Hazard Statement:	H315 (98.04%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.85411
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.85411
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4