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CAS 16962-40-6 TITANIUM molecular structure lightbox
CAS RN: 16962-40-6

TITANIUM

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260628 1kg In stock Shanghai, Shenzhen Inquiry
Batchno.20251119 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260607 500g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 10g In stock Inquiry
Batchno.20250317 50g Out of stock Inquiry
  • Product code: SSC-074215
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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: 1000g
  • 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 16962-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ＞97% 0 Out of Stock Shenzhen Inquiry

16962-40-6 / diazanium;hexafluorotitanium(2-)

Standard CAS: 16962-40-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16962-40-6
Multi CAS
No
Molecular Formula
F6H8N2Ti
Molecular Weight
197.935000
Exact Mass
198.007108
SMILES
[NH4+].[NH4+].F[Ti-2](F)(F)(F)(F)F
InChI
InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
InChIKey
NMGYKLMMQCTUGI-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
18.62
TPSA
73

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.27
Consensus LogP
3.14
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-1.6

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (84.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (84.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (84.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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