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CAS 10381-36-9 NICKEL (II) PHOSPHATE molecular structure lightbox
CAS RN: 10381-36-9

NICKEL (II) PHOSPHATE

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  • Product code: starshine_CAS10381-36-9
  • Purity/Analytical Methods: >99.0%
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10381-36-9 / tris(nickel(2+)) diphosphate

Nickel phosphate | Nickel(II) phosphate | Nickel orthophosphate

Standard CAS: 10381-36-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10381-36-9
Multi CAS
Yes
Molecular Formula
Ni3O8P2
Molecular Weight
366.020000
Exact Mass
365.708309
SMILES
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
InChI
InChI=1S/3Ni.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
InChIKey
AFYAQDWVUWAENU-UHFFFAOYSA-H
Synonyms
Nickel phosphate Nickel(II) phosphate Nickel orthophosphate Phosphoric acid, nickel(2+) salt (2:3) Trinickel bis(orthophosphate)

Physical Properties

Physical Description
Liquid Light green solid, insoluble in water; [Merck Index]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
H-bond acceptors
8
Molar refractivity
15.21
TPSA
172.5

LogP / Solubility

WLOGP
-5.66
MLOGP
-4.96
XLogP3
-5.66
Consensus LogP
-5.43
Log S (ESOL)
1.45
Class (ESOL)
Highly soluble
Log S (Ali)
1.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.66
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)
-8.97

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard Irritant
Signal
Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H350i: May cause cancer by inhalation [Danger Carcinogenicity] H372 **: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501

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