Iridium(III) chloride hydrate

Catalog Number	ACM14996613-2
CAS	14996-61-3
Structure
Synonyms	Iridium chloride (III)
IUPAC Name	Trichloroiridium;hydrate
Molecular Weight	316.59
Molecular Formula	Cl3H2IrO
Canonical SMILES	O.Cl[Ir](Cl)Cl
InChI	InChI=1S/3ClH.Ir.H₂O/h3*1H;1H2/q;+3;/p-3
InChI Key	MJRFDVWKTFJAPF-UHFFFAOYSA-K
Melting Point	763 °C
Purity	99%+
Density	5.3 g/mL at 25 °C (lit.)
Solubility	Soluble in water and alcohol
Appearance	Black crystals
Application	Iridium(III) chloride hydrate can be usually used for the preparation of other iridium compounds such as Vaska′s complex, trans-[IrCl(CO)(PPh3)2].
Storage	Inert atmosphere,Room Temperature
Complexity	8
Covalently-Bonded Unit Count	2
Exact Mass	315.88005
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Monoisotopic Mass	315.88005
Rotatable Bond Count	0
Topological Polar Surface Area	1 Ų

Q&A

What is the molecular formula of Iridium(III) chloride hydrate?

The molecular formula is Cl3H2IrO.

What is the molecular weight of Iridium(III) chloride hydrate?

The molecular weight is 316.59 g/mol.

When was this chemical created and last modified?

It was created on 2007-07-12 and last modified on 2023-12-30.

What is the IUPAC name of Iridium(III) chloride hydrate?

The IUPAC name is trichloroiridium;hydrate.

What is the InChI of Iridium(III) chloride hydrate?

The InChI is InChI=1S/3ClH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3.

What is the InChIKey of Iridium(III) chloride hydrate?

The InChIKey is MJRFDVWKTFJAPF-UHFFFAOYSA-K.

How many hydrogen bond donor count does Iridium(III) chloride hydrate have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does Iridium(III) chloride hydrate have?

It has 1 hydrogen bond acceptor count.

What is the topological polar surface area of Iridium(III) chloride hydrate?

The topological polar surface area is 1-2.

Is the compound canonicalized?

Yes, the compound is canonicalized.