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CAS 12034-59-2 Niobium(IV) oxide molecular structure lightbox
CAS RN: 12034-59-2

Niobium(IV) oxide

  • Product code: SSC-021189
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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: 25g
  • Available purity: >99%
  • 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 12034-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >99% 0 Out of Stock Hong Kong Inquiry

12034-59-2 / dioxoniobium

Niobium(IV) oxide | Niobium dioxide | Niobium oxide (NbO2)

Standard CAS: 12034-59-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12034-59-2
Multi CAS
Yes
Molecular Formula
NbO2
Molecular Weight
124.905000
Exact Mass
124.896200
SMILES
O=[Nb]=O
InChI
InChI=1S/Nb.2O
InChIKey
HFLAMWCKUFHSAZ-UHFFFAOYSA-N
Synonyms
Niobium(IV) oxide Niobium dioxide Niobium oxide (NbO2) EINECS 234-809-7 DTXSID90893180

Physical Properties

Physical Description
Black powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
3
H-bond acceptors
2
Molar refractivity
1.37
TPSA
34.14

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.22
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very 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)
-3.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (37.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (37.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (37.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (16.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, 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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