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CAS 12112-67-3 Chloro(1,5-cyclooctadiene)iridium(I) Dimer molecular structure lightbox
CAS RN: 12112-67-3

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

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15 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100mg In stock Inquiry
Batchno.20250310 1g In stock Inquiry
Batchno.20251201 250mg Out of stock Inquiry
Batchno.20250905 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250620 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250219 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250825 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250825 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg In stock Shanghai Inquiry
Batchno.20250507 10g Out of stock Inquiry
Batchno.20250119 1g Out of stock Inquiry
Batchno.20250129 250mg In stock Shanghai Inquiry
Batchno.20260216 5g Out of stock Inquiry
  • Product code: SSC-022480
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 12112-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry

12112-67-3 / bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);dichloride

Chloro(1,5-cyclooctadiene)iridium(I) dimer | Bis(1,5-cyclooctadiene)diiridium(I) dichloride | MFCD00012414

Standard CAS: 12112-67-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12112-67-3
Multi CAS
Yes
Molecular Formula
C16H24Cl2Ir2-2
Molecular Weight
671.700000
Exact Mass
670.049020
SMILES
C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir]
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-;;;;
InChIKey
SHZHQWGWORCBJK-MIXQCLKLSA-L
Synonyms
Chloro(1,5-cyclooctadiene)iridium(I) dimer Bis(1,5-cyclooctadiene)diiridium(I) dichloride MFCD00012414 (1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride 1,5-Cyclooctadiene-iridium(I) chloride dimer

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
73.5
TPSA
0.0000

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.52
XLogP3
-0.65
Consensus LogP
-0.61
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H252 (21.2%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures] H302+H312+H332 (21.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (59.6%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (59.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P235, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501

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