CAS RN: 15469-38-2
IRON(III) FLUORIDE TRIHYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS15469-38-2
- Purity/Analytical Methods: >99.0%
15469-38-2 / trifluoroiron;trihydrate
Basic Information
CAS
15469-38-2
Multi CAS
No
Molecular Formula
F3FeH6O3
Molecular Weight
166.890000
Exact Mass
166.961839
SMILES
O.O.O.F[Fe](F)F
InChI
InChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
InChIKey
XILAUHRDSUSGOG-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
14.17
TPSA
94.5
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.07
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly 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)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (91.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
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