화학 백과사전 / Dyestuff Intermediates / Organic Intermediate / Pharmaceutical Intermediates

HS157

CAS：12112-67-3
MW:671.7
MF：C16H24Cl2Ir2-2

Chloro(1,5-cyclooctadiene)iridium(I) dimer, with the chemical formula C16H24Cl2Ir2 and CAS registry number 12112-67-3, is a compound known for its applications in catalysis and organometallic chemistry. This orange solid, also referred to as IrCl(cod)2, consists of two iridium atoms coordinated with two cyclooctadiene ligands and two chloride ligands. It is commonly used as a catalyst in various organic transformations, including hydrogenation, hydroamination, and C-H activation reactions. Chloro(1,5-cyclooctadiene)iridium(I) dimer exhibits high stability and reactivity, making it a valuable tool in synthetic chemistry. Its unique structure and properties make it a subject of interest in the field of transition metal chemistry.

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이름 및 식별자
MSDS 정보
NMR 스펙트럼
화학 데이터 계산
관련 문제
실제 제품 정보

1. 이름 및 식별자

1.1 제품명: HS157

1.2 동의어: Bis(1,5-cyclooctadiene)diiridium(I) dichloride, 1,5-Cyclooctadiene-iridium(I) chloride dimer, Chloro(1,5-cyclooctadiene)iridium(I) dimer, Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium, Iridium(I) chloride 1,5-cyclooctadiene complex dimer, [Ir(1,5-cod)Cl]2, [Ir(cod)Cl]2

1.3 CAS No.: 12112-67-3

1.4 CID: 6436381

1.5 EINECS 번호: 235-170-7

1.6 분자식: HS157

1.7 Inchi: InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/p-2/b2*2-1-,8-7-;;;;

1.8 InchiKey: SHZHQWGWORCBJK-MIXQCLKLSA-L

1.9 교회법에 의거 한 SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir].[Ir]

1.10 이성질체 SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir]

2. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

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)	H302 Harmful if swallowed H312 Harmful in contact with skin H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. 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	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. 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.
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

모두 보기

3. NMR 스펙트럼

Mass

4. 화학 데이터 계산

Molecular Weight：671.7g/mol
Molecular Formula：C₁₆H₂₄Cl₂Ir₂-₂
Compound Is Canonicalized：True
XLogP3-AA：670.04902
Monoisotopic Mass：672.05135
Complexity：72.6
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：0
Heavy Atom Count：：20
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：6
CACTVS Substructure Key Fingerprint：AAADceB4AAAGAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAQIAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAAAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Toltal 109 공급자 자세히 보기

Chloro(1,5-cyclooctadiene)iridium(I) dimerCAS NO.: 12112-67-3

Hebei Yanxi Chemical Co.,Ltd

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Tel: Update Time:2024/11/14

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Maufacturer supply Chloro(1,5-cyclooctadiene)iridium(I) dimer CAS 12112-67-3 at reasonable price

Wuhan Fortuna Chemical Co., Ltd.

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Chloro(1,5-cyclooctadiene)iridium(I) dimer

Baoji Guokang Healthchem co.,ltd

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CANGZHOU ENKE PHARMA-TECH CO.,LTD

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Factory Supply Chloro(1,5-cyclooctadiene)iridium(I) dimer

Amitychem Corporation

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6. 관련 문제

: What is Chloro(1,5-cyclooctadiene)iridium(I) dimer?Chloro(1,5-cyclooctadiene)iridium(I) dimer, also known as IrCl(COD)2, is an orange-red crystalline or powder compound. Its molecular formula is C??H??Cl?Ir?, with a molecular weight of 671.71. This co..; What is the role of Chloro(1,5-cyclooctadiene)iridium(I) dimer as a homogeneous catalyst in synthesis?Physical and chemical properties of 1,5-cyclooctadiene iridium chloride Chloro(1,5-cyclooctadiene)iridium(I) dimer, the English name is Chloro(1,5-cyclooctadiene)iridium (I) dimer, the chemical formul..

7. 실제 제품 정보