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CAS 13775-53-6 Trisodium hexafluoroaluminate molecular structure lightbox
CAS RN: 13775-53-6

Trisodium hexafluoroaluminate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250321 1kg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260103 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS13775-53-6
  • Purity/Analytical Methods: >99.0%
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13775-53-6 / trisodium;hexafluoroaluminum(3-)

Standard CAS: 13775-53-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13775-53-6
Multi CAS
No
Molecular Formula
AlF6Na3
Molecular Weight
209.941265
Exact Mass
209.941265
SMILES
F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]
InChI
InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
InChIKey
REHXRBDMVPYGJX-UHFFFAOYSA-H

Physical Properties

Melting Point
1832 °F (NIOSH, 2024) 960-1027 °C Melting point: 1009-1012 °C; heat of formation: -3297 kJ/mol; heat of fusion: 225 kJ/mol at 1012 °C; refractive index: 1.339; vapor pressure: 253 Pa at 1000 °C. /from table/ 1009 °C 1832 °F
Boiling Point
Decomposes (NIOSH, 2024) Decomposes
Density
2.9 (NIOSH, 2024) - Denser than water; will sink 2.95 g/cu cm 2.95 g/cm³ 2.90
Physical Description
Sodium aluminum fluoride appears as an odorless white solid or powder. mp: 1291 °C. Density: 2.95 g/cm3. Dust irritates the eyes and skin; inhaled dust irritates the nose, mouth and lungs. Insoluble in water. Synthesized by fusion of sodium fluoride and aluminum fluoride as a electrolyte in the reduction of alumina to aluminum metal. Occurs in nature as the mineral cryolite. Aqueous suspensions of powdered sodium aluminum fluoride are used as insecticides. Other Solid Colorless to white (but may also be other colors) solid; [CHEMINFO] CRYSTALS OR AMORPHOUS POWDER. Colorless to dark odorless solid. [pesticide] [Note: Loses color on heating.]
Appearance
MONOCLINIC CRYSTALS (NATURAL PRODUCT); AMORPHOUS POWDER (SYNTHETIC PRODUCT) Snow-white, semi-opaque masses, vitreous fracture. Monoclinic crystals with cubic habit, perfect cleavage. The natural form may be colored reddish or brown or even black, but loses this discoloration on heating.
State
Solid
Storage Conditions
Separated from food and feedstuffs. Well closed. Store in an area without drain or sewer access. Separate from air, water, halocarbons, alcohols. Store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Inside storage should be in a standard flammable liquid storage warehouse, room, or cabinet. /Aluminum alkyls/

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
7
Molar refractivity
12.4
TPSA
0.0000

LogP / Solubility

WLOGP
-6.85
MLOGP
-6.02
XLogP3
-6.85
Consensus LogP
-6.57
Log S (ESOL)
3.17
Class (ESOL)
Highly soluble
Log S (Ali)
3.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.66
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)
-8.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P273, P304+P340, P317, P319, P391, and P501 P261, P271, P304+P340, P319, P403+P233, P405, and P501 P260, P261, P264, P270, P271, P273, P304+P340, P317, P319, and P501

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