CAS 12045-64-6 Zirconium Boride molecular structure

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CAS RN: 12045-64-6

Zirconium Boride

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9 package records9 with current stock5 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260327	100g	In stock	Inquiry
Batchno.20250109	25g	In stock	Inquiry
Batchno.20250805	500g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250913	5g / 25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong, Chongqing, Hebei	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250929	100g	In stock	Shandong	Inquiry
Batchno.20260102	25g	In stock	Shanghai, Shandong	Inquiry
Batchno.20250409	500g	In stock	Shandong, Hebei	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250528	5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250707	25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong	Inquiry

Product code: SSC-021441

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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: 10g
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 12045-64-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	≥97%	0 Out of Stock	Hong Kong	Inquiry

12045-64-6 / Zirconium Boride

Zirconium boride | ZrB2 cpd | RefChem:196131

Standard CAS: 12045-64-6 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

12045-64-6

Multi CAS

Molecular Formula

B2Zr

Molecular Weight

112.850000

Exact Mass

111.923309

SMILES

[B].[B].[Zr]

InChI

InChI=1S/2B.Zr

InChIKey

VWZIXVXBCBBRGP-UHFFFAOYSA-N

Synonyms

Zirconium boride ZrB2 cpd RefChem:196131 Zirconium boride (ZrB2) DTXCID4033633

Physical Properties

Physical Description

Grey solid; [Hawley] Powder

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Molar refractivity

11.51

TPSA

0.0000

LogP / Solubility

WLOGP

-0.76

MLOGP

-0.68

XLogP3

-0.76

Consensus LogP

-0.73

Log S (ESOL)

-0.06

Class (ESOL)

Very soluble

Log S (Ali)

0.07

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

0.24

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.95

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (85.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (85.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (85.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501