CAS 10045-86-0 Ferric phosphate molecular structure

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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

H-bond acceptors

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

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.65

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

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