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CAS 100080-82-8 rac-Ethylenebis(1-indenyl)zirconium dichloride molecular structure lightbox
CAS RN: 100080-82-8

rac-Ethylenebis(1-indenyl)zirconium dichloride

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 1g In stock Inquiry
Batchno.20260105 250mg In stock Inquiry
Batchno.20250726 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250709 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260602 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251228 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-000362
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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: 1g
  • Available purity: ＞97%
  • 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 100080-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

100080-82-8 / dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene

N,N-Dibenzylhydroxylamine | 621-07-8 | Dibenzylhydroxylamine

Standard CAS: 100080-82-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100080-82-8
Multi CAS
Yes
Molecular Formula
C20H18Cl2Zr
Molecular Weight
420.500000
Exact Mass
417.983255
SMILES
C1=CC=C2C(C=CC2=C1)CCC3C=CC4=CC=CC=C34.Cl[Zr]Cl
InChI
InChI=1S/C20H18.2ClH.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12,17-18H,13-14H2;2*1H;/q;;;+2/p-2
InChIKey
IJSDUKZKUCXMRL-UHFFFAOYSA-L
Synonyms
N,N-Dibenzylhydroxylamine 621-07-8 Dibenzylhydroxylamine Benzenemethanamine, N-hydroxy-N-(phenylmethyl)- Hydroxylamine, N,N-dibenzyl-

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
Molar refractivity
97.37
TPSA
0.0000

LogP / Solubility

WLOGP
6.76
MLOGP
5.98
XLogP3
6.76
Consensus LogP
6.5
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (39.2%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (44.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (54.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H335 (38.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (16.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501

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