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CAS 12116-66-4 Hafnocene Dichloride molecular structure lightbox
CAS RN: 12116-66-4

Hafnocene Dichloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250407 25g In stock Shanghai Inquiry
Batchno.20250913 5g In stock Shanghai Inquiry
  • Product code: SSC-022924
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 12116-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

12116-66-4 / bis(cyclopenta-1,3-diene);hafnium(4+);dichloride

cyclopenta-1,3-diene;hafnium(4+);dichloride | SCHEMBL138984 | Di(cyclopentadienyl)hafnium(IV) dichloride

Standard CAS: 12116-66-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12116-66-4
Multi CAS
Yes
Molecular Formula
C10H10Cl2Hf
Molecular Weight
379.570000
Exact Mass
379.962520
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Hf+4]
InChI
InChI=1S/2C5H5.2ClH.Hf/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKey
CSEGCHWAMVIXSA-UHFFFAOYSA-L
Synonyms
cyclopenta-1,3-diene;hafnium(4+);dichloride SCHEMBL138984 Di(cyclopentadienyl)hafnium(IV) dichloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
Molar refractivity
44.07
TPSA
0.0000

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.78
XLogP3
-3.18
Consensus LogP
-3.05
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.3

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (48.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (48.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (47.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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

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