Chlorobis(cyclooctene)iridium(I)dimer Estructura molecular

3D Mol Similar

Chlorobis(cyclooctene)iridium(I)dimer

: IUPAC Nombre：cyclooctene;iridium;dichloride; CAS Registry Number: 12246-51-4; Peso molecular：896.13

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1. Nombres y Identificadores

: 1.1 Nombre del producto; Chlorobis(cyclooctene)iridium(I)dimer; 1.2 Sinónimos; Di-μ-chlorotetrakis(cyclooctene)diiridium

1.3 CAS Registry Number: 12246-51-4

1.4 CID: 91972094

1.5 Fórmula molecular: Chlorobis(cyclooctene)iridium(I)dimer (isomer)

1.6 Inchi: InChI=1S/4C8H14.2ClH.2Ir/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2/b4*2-1-;;;;

1.7 InchiKey: WBRREXQCZAFSKS-XFCUKONHSA-L

1.8 Canónico SMILES: Cl[Ir].Cl[Ir].[CH]1[CH]CCCCCC1.[CH]1[CH]CCCCCC1.[CH]1[CH]CCCCCC1.[CH]1[CH]CCCCCC1

1.9 Isómero SMILES: C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Ir].[Ir]

2. Propiedades

2.1 Densidad: g/cm3

2.2 Punto de Derretimiento: 160-165 °C (dec.) (lit.)

2.3 Punto de Hierro: °Cat760mmHg

2.4 Punto de Flash: °C

2.5 PSA: 0.00000

2.6 logP: 12.37580

2.7 Solubilidad: Soluble in organic solvents.

3. Seguridad y Manejo

3.1 Código de peligro: Xi

3.2 Código de riesgo: 36/37/38

3.3 Descripción del peligro: H315; H319; H335

3.4 Wgk Alemania: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

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 H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
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. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR El espectro.

13C NMR : Predict

1H NMR : Predict

6. Datos químicos computacionales

Peso molecular: 896.13g/mol
Fórmula molecular: C₃₂H₅₆Cl₂Ir₂₈*
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 894.29942
Monoisotopic Mass: 896.30175
Complexity: 62.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 36
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 4
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 8
CACTVS Substructure Key Fingerprint: AAADcfB8AAAGAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAQIAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Proveedores recomendados

Global24ProductoresVer todo >>

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Price: 0.1 USD/kilogram
Time: 2023/06/28

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Hangzhou Tianye chemicals Co., Ltd Diamond member

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Chlorobis(cyclooctene)iridium(I) dimer

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Time: 2024/10/22

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Finetech Industry limited. Audited Suppliers

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BIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMER

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2018/11/21

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Nanjing Chemlin Chemical Co., Ltd. Audited Suppliers

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chlorobis(cyclooctene)iridium(I) dimer

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Hebei yanxi chemical co.,LTD. Trading Company

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chlorobis(cyclooctene)Iridium(I)dimer

Purity:99%Packing: 200kg/bag FOB
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8. información real del producto

12354-84-6 (Pentamethylcyclopentadienyl)iridium(III) chloride dimer

12279-09-3 Chlorobis(cyclooctene)rhodium(I) dimer

39722-81-1 Chlorobis(ethylene)Iridium(I)Dimer

33040-12-9 Diiodo(pentamethylcyclopentadienyl)iridium(Ⅲ) dimer

12112-67-3 Chloro(1,5-cyclooctadiene)iridium(I) dimer

12081-18-4 BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMER

12645-45-3 Iridium chloride

Última actualización : 1787294-52-3 1564933-37-4 1566228-39-4 1567052-39-4 474558-55-9 1565743-82-9 1594871-98-3 2903520-96-5 1565577-46-9 1564881-39-5

Directorio

1. Nombres y Identificadores

: 1.1 Nombre del producto; 1.2 Sinónimos; 1.3 CAS Registry Number; 1.4 CID; 1.5 Fórmula molecular; 1.6 Inchi; 1.7 InchiKey; 1.8 Canónico SMILES; 1.9 Isómero SMILES

2. Propiedades

: 2.1 Densidad; 2.2 Punto de Derretimiento; 2.3 Punto de Hierro; 2.4 Punto de Flash; 2.5 PSA; 2.6 logP; 2.7 Solubilidad

3. Seguridad y Manejo

: 3.1 Código de peligro; 3.2 Código de riesgo; 3.3 Descripción del peligro; 3.4 Wgk Alemania

4.MSDS

5.NMR El espectro.

6.Datos químicos computacionales

7.Proveedores recomendados