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Molecule
ID:125749
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
AlF₃
Molecular Mass
83.9767476
Exact Mass
83.97674829
Charge
0
InChI
InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKey
KLZUFWVZNOTSEM-UHFFFAOYSA-K
Canonic Smiles
F[Al](F)F
Isomeric Smiles
F[Al](F)F
Calculated Properties
JChem
LogD (pH = 7.4)
0.78
LogD (pH = 5.5)
0.78
Log P
0.78
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
3.87
Molar Refractivity
4.50
LOG S
-0.37
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Safety Information
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Physical Property
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Product Information
Related Proteins
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PDB Bank
Molecular Spectra
Molecule Details
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Wikipedia
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
Wikipedia
Aluminium_fluoride
Aluminium_monofluoride
PubChem
2124
ChEBI
CHEBI:49464
Commercial Catalog
Sigma Aldrich
449628
332917
Names and Identifiers
IUPAC Traditional name
aluminium fluoride
Synonyms
Aluminium fluoride
Aluminum trifluoride
Aluminium monofluoride
Aluminium(III) fluoride
Trifluoroaluminum
Aluminum fluoride
氟化铝
AlF3
Aluminum fluoride
[AlF3]
ALUMINUM FLUORIDE
aluminium trifluoride
IUPAC name
trifluoroalumane
Registration numbers
PubChem CID
2124
PubChem SID
162220097
24860089
24868496
49742664
Wikipedia Title
Aluminium_monofluoride
Aluminium_fluoride
CAS Number
13595-82-9
7784-18-1
CHEBI ID
49464
CHEBI:49463
CHEBI:30112
CHEBI:49464
Chemspider ID
2039
EC Number
232-051-1
MDL Number
MFCD00003426
BRENDA Database
7.6.2.8
7.6.2.1
7.4.2.14
7.1.2.1
7.6.2.4
7.2.2.10
7.2.2.19
Protein Data Bank
4fmd
1e1r
5efq
6wwn
2d33
5fte
4fmc
7lvr
3ukd
5lih
7re0
3lvq
7eo9
1l3r
7ckf
5ukd
1kdn
2f48
1a6e
2ngr
1l7n
7nvo
7t3c
3hb1
2b92
4a36
1kh5
6xez
2hf7
1ihu
2ynm
4nst
6xi8
5c2k
4jvs
5y6m
7nvl
6s9e
7nvn
7re2
1he1
3syn
6wwg
7t3b
3ruw
1g4u
6ks6
1svt
4fme
7re1
7l07
6njp
3lvr
4ck6
1n6k
1khj
7kro
3ex7
4iru
2g77
4ck7
2g08
5c2j
1e2e
4m8n
1k3c
6qp0
7kue
7rdy
1vfx
6njo
7rdx
2wzd
4nu1
6wwk
7re3
1k5g
1wq1
7krn
5gza
1pcq
4dl8
3cf1
1k3d
4fmb
7eob
5xja
1rlt
7e5a
6i4i
1grn
4xpz
7nvm
1tuy
SureChEMBL Database
SCHEMBL79382
PDBeChem Database
AF3
CompTox Database
DTXSID8030712
Patent number
US2007259861
EP1803802
BKMS React Database
232926
163516
169879
169884
IntAct Database
EBI-25817333
EBI-6379770
EBI-6379691
BRENDA Ligand Database
169884
169879
163516
232926
Gmelin ID
1649
ACToR Database
7784-18-1
UniProt Database
Q7TMB8
Related Proteins
PDB Bank
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4FMD
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1E1R
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5EFQ
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6WWN
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2D33
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5FTE
4FMC
7LVR
3UKD
5LIH
7RE0
3LVQ
7EO9
1L3R
7CKF
5UKD
1KDN
2F48
1A6E
2NGR
1L7N
7NVO
7T3C
3HB1
2B92
4A36
1KH5
6XEZ
2HF7
1IHU
2YNM
4NST
6XI8
5C2K
4JVS
5Y6M
7NVL
6S9E
7NVN
7RE2
1HE1
3SYN
6WWG
7T3B
3RUW
1G4U
6KS6
1SVT
4FME
7RE1
7L07
6NJP
3LVR
4CK6
1N6K
1KHJ
7KRO
3EX7
4IRU
2G77
4CK7
2G08
5C2J
1E2E
4M8N
1K3C
6QP0
7KUE
7RDY
1VFX
6NJO
7RDX
2WZD
4NU1
6WWK
7RE3
1K5G
1WQ1
7KRN
5GZA
1PCQ
4DL8
3CF1
1K3D
4FMB
7EOB
5XJA
1RLT
7E5A
6I4I
1GRN
4XPZ
7NVM
1TUY
Molecule Details
Wikipedia
Aluminium_fluoride
Aluminium_monofluoride
Sigma Aldrich
449628
Packaging
10, 50 g in glass bottle
Application
Used extensively in the preparation of doped fluoride glasses1,2,3,4 and in a mixed-metal fluoride catalyst for synthesis of HFC-134a.5
332917
Packaging
10, 100 g in poly bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem CID
•
PubChem SID
•
Wikipedia Title
•
CAS Number
•
CHEBI ID
•
Chemspider ID
•
EC Number
•
MDL Number
•
BRENDA Database
•
Protein Data Bank
•
SureChEMBL Database
•
PDBeChem Database
•
CompTox Database
•
Patent number
•
BKMS React Database
•
IntAct Database
•
BRENDA Ligand Database
•
Gmelin ID
•
ACToR Database
•
UniProt Database
Properties
Safety Information
Risk Statements
-
Source
22
-
36/37/38
Source
RTECS
BD0725000
Source
Safety Statements
-
Source
R
Source
26
Source
NFPA704
0
0
0
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
MSDS Link
Download link
Source
Download link
Source
European Hazard Symbols
Harmful (Xn)
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Hazard statements
H302
-
H315
-
H319
-
H335
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
Physical Property
Melting Point
1291 °C (anhydrous)
Source
1290 °C(lit.)
Source
1291 °C(lit.)
Source
Density
2.88 g/cm
3
(anhydrous)
2.1 g/cm
3
(monohydrate)
1.914 g/cm
3
(trihydrate)
Source
3.1 g/mL at 25 °C(lit.)
Source
Apperance
white, crystalline solid
odorless
Source
powder
Source
0.56 g/100 mL (0 °C)
0.67 g/100 mL (20 °C)
1.72 g/100 mL (100 °C) in water
Source
Product Information
Purity
≥99.9% trace metals basis
Source
Grade
anhydrous
Source
reagent grade
Source
Linear Formula
AlF3
Source
Solubility