[email protected]
CAS 12022-71-8 IRON (II) TITANIUM OXIDE molecular structure lightbox
CAS RN: 12022-71-8

IRON (II) TITANIUM OXIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS12022-71-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

12022-71-8 / bis(iron(3+));heptakis(oxygen(2-));bis(titanium(4+))

iron(2+);oxygen(2-);titanium(4+) | SCHEMBL158643 | KEHCHOCBAJSEKS-UHFFFAOYSA-N

Standard CAS: 12022-71-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12022-71-8
Multi CAS
Yes
Molecular Formula
Fe2O7Ti2
Molecular Weight
319.420000
Exact Mass
319.730155
SMILES
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Fe+3].[Fe+3]
InChI
InChI=1S/2Fe.7O.2Ti/q2*+3;7*-2;2*+4
InChIKey
JCDAAXRCMMPNBO-UHFFFAOYSA-N
Synonyms
iron(2+);oxygen(2-);titanium(4+) SCHEMBL158643 KEHCHOCBAJSEKS-UHFFFAOYSA-N Iron(2+) titanium(4+) oxide (1/1/3)

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
H-bond acceptors
7
Molar refractivity
4.81
TPSA
199.5

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.73
XLogP3
-0.84
Consensus LogP
-0.8
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (90.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (90.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us