2-Bromoiodobenzene - CAS 583-55-1

Name: 2-Bromoiodobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-bromo-2-iodobenzene
Description:	2-Bromoiodobenzene was used in the synthesis of diarylamines. It was also a reactant used in Suzuki Coupling reactions.
Molecular Weight:	282.90
Molecular Formula:	C6H4BrI
Canonical SMILES:	C1=CC=C(C(=C1)Br)I
InChI:	InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
InChI Key:	OIRHKGBNGGSCGS-UHFFFAOYSA-N
Boiling Point:	120-121 °C (15 mmHg)
Melting Point:	41892 °C
Purity:	95 %
Density:	2.203 g/cm³
Appearance:	Light yellow to red liquid
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
MDL:	MFCD00001030
LogP:	3.05370

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113501795-A	Preparation method of novel medicine Vothiocetin for treating major depressive disorder	20210706
CN-113372258-A	Indeno [1,2-b ] indole derivative and preparation method and application thereof	20210628
CN-113292391-A	Preparation method of 2-bromoiodobenzene	20210611
CN-113354641-A	Organic compound and application thereof	20210604
CN-113121542-A	5, 10-indolino [3,2-b ] indole derivative and synthesis method and application thereof	20210413

PMID	Publication Date	Title	Journal
21580588	20100303	2-Bromo-p-terphen-yl	Acta crystallographica. Section E, Structure reports online
19459669	20090619	Synthesis of carbazoles by intramolecular arylation of diarylamide anions	The Journal of organic chemistry
16095282	20050819	Synthesis of indeno-fused derivatives of quinolizinium salts, imidazo[1,2-a]pyridine, pyrido[1,2-a]indole, and 4h-quinolizin-4-one via benzannulated enyne-allenes	The Journal of organic chemistry

Complexity:	74.9
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:	3.7