Chlorobis(ethylene)Iridium(I)Dimer
- Iupac Name：ethene;iridium;dichloride
- CAS No.: 39722-81-1
- Molecular Weight：567.55
- Modify Date.: 2022-11-24 08:06
1. Names and Identifiers
- 1.1 Name
- Chlorobis(ethylene)Iridium(I)Dimer
- 1.2 Synonyms
Bis((m-chloro)bis(h2-ethylene)iridium) Bis(chlorobis(h2-ethylene)iridium) Bis(ethylene)chloroiridium dimer Chlorobis(ethylene)iridium dimer Dichlorotetrakis(ethene)diiridium Di-m-Chlorotetrakis(ethene)diiridium
- 1.3 CAS No.
- 39722-81-1
- 1.4 CID
- 91972112
- 1.5 Molecular Formula
- C8H16Cl2Ir2-2 (isomer)
- 1.6 Inchi
- InChI=1S/4C2H4.2ClH.2Ir/c4*1-2;;;;/h4*1-2H2;2*1H;;/p-2
- 1.7 InChIkey
- KIGDBTYHWLDKQG-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- C=C.C=C.C=C.C=C.[Cl-].[Cl-].[Ir].[Ir]
- 1.9 Isomers Smiles
- C=C.C=C.C=C.C=C.[Cl-].[Cl-].[Ir].[Ir]
2. Properties
- 2.1 Precise Quality
- 565.98642
- 2.1 PSA
- 0.00000
- 2.1 logP
- 2.02940
- 2.1 Appearance
- Amber to Brown powder to crystal
- 2.2 Color/Form
- red
- 2.3 StorageTemp
- 0-10°C
3. Safety and Handling
- 3.1 Risk Statements
- 36/37/38
- 3.1 Safety Statements
- 26
- 3.1 Hazard Declaration
- H315
- 3.1 Caution Statement
- P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 567.55g/mol
- Molecular Formula: C8H16Cl2Ir2-2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 565.98642
- Monoisotopic Mass: 567.98875
- Complexity: 0
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 0
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 8
- CACTVS Substructure Key Fingerprint: AAADceBwAAAGAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAAAACAAAAAAAAAAACAAAACAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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