5-Bromo-2-iodobenzaldehyde - CAS 689291-89-2

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

Catalog:	BB033660
Product Name:	5-Bromo-2-iodobenzaldehyde
CAS:	689291-89-2
Synonyms:	5-bromo-2-iodobenzaldehyde; 5-bromo-2-iodobenzaldehyde

Technical Data

IUPAC Name:	5-bromo-2-iodobenzaldehyde
Description:	5-Bromo-2-iodobenzaldehyde (CAS# 689291-89-2) is a useful synthetic intermediate. It is used to prepare aza-fused polycyclic quinolines via copper-catalyzed CAScade intermolecular condensation. It is also used in the synthesis of oxoindenopyrroles via copper-catalyzed tandem cycloaddition and coupling of iodoarylynones with isocyanides.
Molecular Weight:	310.91
Molecular Formula:	C7H4BrIO
Canonical SMILES:	C1=CC(=C(C=C1Br)C=O)I
InChI:	InChI=1S/C7H4BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChI Key:	MOELYMOGQIDKNW-UHFFFAOYSA-N
Boiling Point:	312.152 °C at 760 mmHg
Density:	2.231 g/cm³
Appearance:	White powder
MDL:	MFCD07779026
LogP:	2.86620

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.84902
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.84902
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7