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CAS 11138-49-1 Sodium aluminate molecular structure lightbox
CAS RN: 11138-49-1

Sodium aluminate

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  • Product code: starshine_CAS11138-49-1
  • Purity/Analytical Methods: >99.0%
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11138-49-1 / sodium dioxoalumanuide

SODIUM ALUMINATE | Sodium metaaluminate | Aluminium sodium dioxide

Standard CAS: 11138-49-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
11138-49-1
Multi CAS
Yes
Molecular Formula
AlNaO2
Molecular Weight
81.970000
Exact Mass
81.961137
SMILES
O=[Al-]=O.[Na+]
InChI
InChI=1S/Al.Na.2O/q-1;+1;;
InChIKey
IYJYQHRNMMNLRH-UHFFFAOYSA-N
Synonyms
SODIUM ALUMINATE Sodium metaaluminate Aluminium sodium dioxide Aluminate, sodium Sodium aluminum oxide (NaAlO2)

Physical Properties

Melting Point
1650 °C
Density
>1.5 g/cm³
Physical Description
Sodium aluminate, solid is an odorless white powdered solid. Toxic by ingestion and corrosive to tissue. Used in water purification. Other Solid; Water or Solvent Wet Solid; Liquid White solid; [Merck Index] Hygroscopic; [ICSC] White crystalline solid, soluble in water; [Hawley] WHITE HYGROSCOPIC POWDER.
Appearance
WHITE GRANULAR MASS WHITE AMORPHOUS POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
2
Molar refractivity
7.13
TPSA
34.14

LogP / Solubility

WLOGP
-3.61
MLOGP
-3.19
XLogP3
-3.61
Consensus LogP
-3.47
Log S (ESOL)
1.93
Class (ESOL)
Highly soluble
Log S (Ali)
2.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.81
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)
-5.79

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)
Oxidizer Corrosive
Signal
Danger
GHS Hazard Statements
H271 (15.9%): May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids] H290 (75%): May be corrosive to metals [Warning Corrosive to Metals] H314 (98.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (65.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H290 (35.2%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement Codes
P210, P220, P234, P260, P264, P264+P265, P280, P283, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P306+P360, P316, P317, P321, P363, P370+P378, P371+P380+P375, P390, P405, P406, P420, and P501 P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
DOT ID (UN/NA Number)
1819 2812
Hazard Class/Division
8
Packing Group
III

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