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Molecule
ID:8063
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆H₂F₄O
Molecular Mass
166.0730928
Exact Mass
166.00417756
Charge
0
InChI
InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
PBYIIRLNRCVTMQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)O)F
Isomeric Smiles
c1(cc(c(c(c1F)O)F)F)F
Calculated Properties
JChem
Acid pKa
5.8453636
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0808587
LogD (pH = 7.4)
0.81999975
Log P
2.2404883
Molar Refractivity
28.9045
Polarizability
10.335074
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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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
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RDKit
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JChem
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC6820
MP Biomedicals
05221496
Matrix Scientific
003484
Sigma Aldrich
196789
Alfa Aesar
A12686
Bide Pharmatech
BD65100
Academic Data
PubChem
69858
Names and Identifiers
Synonyms
2,3,5,6-Tetrafluorophenol
4H-Tetrafluorophenol 98%
2,3,5,6-Tetrafluorophenol, tech.
2,3,5,6-Tetrafluorophenol
2,3,5,6-四氟苯酚
2,3,5,6-TETRAFLUORO PHENOL
2,3,5,6-Tetrafluorophenol
IUPAC name
2,3,5,6-tetrafluorophenol
IUPAC Traditional name
2,3,5,6-tetrafluor-phenol
Registration numbers
CAS Number
769-39-1
PubChem SID
24851794
160971370
MDL Number
MFCD00002157
EC Number
212-209-6
Beilstein Number
1911548
PubChem CID
69858
Molecule Details
MP Biomedicals
05221496
MP Biomedicals Rare Chemical collection
Sigma Aldrich
196789
Packaging
5, 25 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
PubChem SID
•
MDL Number
•
EC Number
•
Beilstein Number
•
PubChem CID
Properties
Safety Information
Storage Warning
CORROSIVE
Source
Corrosive/Harmful/Store under Argon
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
false
Source
否
Source
Irritant (Xi)
S:
20
-
25
-
26
-
37/39
Source
26
-
36
Source
26
-
36/37/39
-
45
R:
36/37/38
Source
36/37/38
Source
21/22
-
34
Source
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
H315
-
H319
-
H335
Source
H301
-
H311
-
H314
-
H318
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
P261
-
P305+P351+P338
Source
P260
-
P301+P310
-
P303+
P361
+P353
-
P305+P351+P338
-
P361
-
P405
-P501A
Warning
Source
3
Source
UN3261
Source
II
Source
8
Source
Physical Property
140°C
Source
140-143°C
Source
140 °C(lit.)
Source
141-143°C
Source
37-39°C
Source
33-39°C
Source
37-39 °C(lit.)
Source
28-30°C
Product Information
Download link
Source
HC6F4OH
Source
97%
Source
Source
Harmful (X)
Source
Corrosive (C)
Source
Source
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Source
Source
Flash Point
79°C
Source
79 °C
Source
174.2 °F
Source
79°C(174°F)
Source
TSCA Listed
European Hazard Symbols
Safety Statements
Risk Statements
GHS Pictograms
GHS Hazard statements
Personal Protective Equipment
GHS Precautionary statements
GHS Signal Word
German water hazard class
UN Number
Packing Group
Hazard Class
Boiling Point
Melting Point
Certificate of Analysis
Linear Formula
Purity
Irritant (Xi)
Harmful (X)
Corrosive (C)
