Basic information
- CAS
1439402-25-1- Standard SMILES
CC1C(C)C(C)C(C)C1C.COc1ccc(N=C(C)c2[c-]cc([N+](=O)[O-])cc2)cc1.[CH3-].[Cl][Ir+2]- InChIKey
PTSXPQQGKGWLAV-UHFFFAOYSA-M- Molecular formula
- C26H36ClIrN2O3
- Average molar mass
- 652.2 g/mol
- Monoisotopic mass
- 652.20437
Names & identifiers
- Preferred name
- Chloro(pentamethylcyclopentadienyl){5-nitro-2-{1-[(4-methoxyphenyl)imino-kN]ethyl}phenyl-kC}iridium(III)
- IUPAC
- carbanide;chloroiridium(2+);N-(4-methoxyphenyl)-1-(4-nitrobenzene-6-id-1-yl)ethanimine;1,2,3,4,5-pentamethylcyclopentane
Names & synonyms
1439402-25-1RefChem:575738812-382-3Chloro(pentamethylcyclopentadienyl)(5-nitro-2-(1-((4-methoxyphenyl)imino-kN)ethyl)phenyl-kC)iridium(III)Chloro(pentamethylcyclopentadienyl){5-nitro-2-{1-[(4-methoxyphenyl)imino-kN]ethyl}phenyl-kC}iridium(III)Chloro(pentamethylcyclopentadienyl){5-nitro-2-{1-[(4-methoxyphenyl)imino-kN]ethyl}phenyl-kC}iridium(III), 99% Iridicycle-NO2
Database identifiers
- CAS
1439402-25-1- PubChem CID
- 171369986
- EC Number
- 812-382-3
Properties
Computed structural properties
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 564
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…