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CAS 10045-86-0 Ferric phosphate molecular structure lightbox
CAS RN: 10045-86-0

Ferric phosphate

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  • Product code: starshine_CAS10045-86-0
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10045-86-0 / iron(3+) phosphate

FERRIC PHOSPHATE | Ferric orthophosphate | Phosphoric acid, iron(3+) salt (1:1)

Standard CAS: 10045-86-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10045-86-0
Multi CAS
Yes
Molecular Formula
FeO4P
Molecular Weight
150.820000
Exact Mass
150.888356
SMILES
[O-]P(=O)([O-])[O-].[Fe+3]
InChI
InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3
InChIKey
WBJZTOZJJYAKHQ-UHFFFAOYSA-K
Synonyms
FERRIC PHOSPHATE Ferric orthophosphate Phosphoric acid, iron(3+) salt (1:1) Iron phosphate (FePO4) Iron(3+) phosphate, (1:1)

Physical Properties

Density
White, grayish-white, or light pink, orthorhombic or monoclinic crystals or amorphous powder. Loses water above 140 °C; density: 2.8. Practically insoluble in water; readily soluble in hydrochloric acid; slowly soluble in nitric acid. /Dihydrate/
Physical Description
Dry Powder; NKRA; Dry Powder, Pellets or Large Crystals Dihydrate: White, grayish-white, or light-pink solid, practically insoluble in water; Loses water above 140 deg C; [Merck Index] Whitish odorless crystals or powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
H-bond acceptors
4
Molar refractivity
7.61
TPSA
86.25

LogP / Solubility

WLOGP
-2.83
MLOGP
-2.49
XLogP3
-2.83
Consensus LogP
-2.72
Log S (ESOL)
1.01
Class (ESOL)
Highly soluble
Log S (Ali)
1.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.71
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)
-5.65

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (20.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (21.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (21.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (18.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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, P391, P403+P233, P405, and P501 P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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