CAS RN: 13470-08-1
TITANIUM(III) FLUORIDE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS13470-08-1
- Purity/Analytical Methods: >99.0%
13470-08-1 / trifluorotitanium
Basic Information
CAS
13470-08-1
Multi CAS
No
Molecular Formula
F3Ti
Molecular Weight
104.862000
Exact Mass
104.943150
SMILES
F[Ti](F)F
InChI
InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
InChIKey
NLPMQGKZYAYAFE-UHFFFAOYSA-K
Physical Properties
Physical Description
Light brown powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
4
H-bond acceptors
3
Molar refractivity
3.32
TPSA
0.0000
LogP / Solubility
WLOGP
1.26
MLOGP
1.1
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-2.47
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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
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