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Molecule
ID:8314
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆H₅FO
Molecular Mass
112.1017032
Exact Mass
112.032443
Charge
0
InChI
InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
RHMPLDJJXGPMEX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.235027
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.812303
LogD (pH = 7.4)
1.8061153
Log P
1.8123825
Molar Refractivity
28.2553
Polarizability
10.620049
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
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
•
Sigma Aldrich
References
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PubChem Literature
•
From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC4090
Maybridge
SB00777
MP Biomedicals
02158136
05212179
Matrix Scientific
003863
Sigma Aldrich
F13207
00661
Chemik
CHB83741
Bide Pharmatech
BD33432
Alfa Aesar
A11945
A&J Pharmtech
AJA-O6635
Academic Data
PubChem
9732
Names and Identifiers
IUPAC Traditional name
4-fluorophenol
IUPAC name
4-fluorophenol
Synonyms
4-Fluorophenol 99%
4-Fluorophenol
p-FLUOROPHENOL
4-Fluorophenol
4-氟苯酚
4-Fluorophenol
Registration numbers
CAS Number
371-41-5
MDL Number
MFCD00002316
Beilstein Number
1362752
PubChem SID
24844930
160971621
24894759
EC Number
206-736-0
PubChem CID
9732
Molecule Details
MP Biomedicals
02158136
Crystalline
05212179
MP Biomedicals Rare Chemical collection
Sigma Aldrich
F13207
Packaging
25, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
PubChem SID
•
EC Number
•
PubChem CID
Properties
•
Physical Property
•
Safety Information
•
Product Information
Properties
Physical Property
Melting Point
46-48°C
Source
44-47°C
Source
43-46 °C(lit.)
Source
44-49 °C
Source
44-47°C
Source
Boiling Point
185°C
Source
185 °C(lit.)
Source
185-188°C
Source
68°C
Source
68.3°C
Source
154.4 °F
Source
68 °C
Source
68°C(154°F)
Source
1.22
Source
Safety Information
true
Source
是
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Product Information
99%
Source
97%
Source
≥99.0% (GC)
Source
98%
Source
Download link
Source
Download link
Source
Source
Download link
Source
RTECS
SL4550000
Source
Storage Warning
TOXIC
Source
Toxic/Corrosive/Harmful/Irritant/Air Sensitive/Store under Argon
Source
Hazard Class
6.1
Source
8
Source
Packing Group
II
Source
2
Source
III
Source
EU Hazard Identification Number
6.1B
Source
European Hazard Symbols
Toxic (T)
Source
Flammable (F)
Harmful (Xn)
Harmful (X)
Corrosive (C)
UN Number
2811
Source
2928
Source
UN2923
Source
Australian Hazchem
2XE
Source
Emergency Response Guidebook(ERG) Number
154
Source
Risk Statements
R:
10
-
25
Source
20/21/22
-
36/37/38
-
52/53
Source
21/22
-
34
Source
Storage Condition
2-8°C
Source
EU Classification
T2
Source
Safety Statements
S:
16
-
28
-
29
-
36/37/39
-
45
Source
26
-
37/39
-
61
Source
26
-
36/37/39
-
45
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Hazard statements
H302
-
H312
-
H315
-
H319
-
H332
-
H335
Source
H314
-
H318
-
H302
-
H312
Source
GHS Precautionary statements
P261
-
P280
-
P305+P351+P338
Source
P260
-
P303+P361+P353
-
P305+P351+P338
-
P301+P330+P331
-
P405
-P501A
Source
German water hazard class
1
Source
GHS Signal Word
Warning
Source
RID/ADR
UN 2928 6.1/PG 2
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
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Linear Formula
FC6H4OH
Source
Antion Traces
nitrite (NO2-): ≤10 mg/kg
Source
chloride (Cl-): ≤20 mg/kg
Source
nitrate (NO3-): ≤10 mg/kg
Source
Grade
puriss. p.a.
Source
Flash Point
Density
TSCA Listed
MSDS Link
Purity
Certificate of Analysis
Source
Source
Source
Source
Source
Toxic (T)
Flammable (F)
Harmful (Xn)
Corrosive (C)
