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CAS 12021-95-3 Hexafluorozirconic acid molecular structure lightbox
CAS RN: 12021-95-3

Hexafluorozirconic acid

  • Product code: SSC-021064
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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: 500g
  • 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 12021-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

12021-95-3 / tetrafluorozirconium;dihydrofluoride

SBB093654

Standard CAS: 12021-95-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12021-95-3
Multi CAS
Yes
Molecular Formula
F6H2Zr
Molecular Weight
207.230000
Exact Mass
205.910768
SMILES
F.F.F[Zr](F)(F)F
InChI
InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4
InChIKey
DXIGZHYPWYIZLM-UHFFFAOYSA-J
Synonyms
SBB093654

Computed Properties

Structural Parameters

Heavy atom count
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
9.44
TPSA
0.0000

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H290 (48.9%): May be corrosive to metals [Warning Corrosive to Metals] H301+H311+H331 (71.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (72.4%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (20.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (72.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement Codes
P234, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P390, P403+P233, P405, P406, and P501

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