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Molecule
ID:8313
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/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
SJTBRFHBXDZMPS-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)F
Isomeric Smiles
c1(F)cc(O)ccc1
Calculated Properties
JChem
Acid pKa
8.568224
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8120139
LogD (pH = 7.4)
1.7840471
Log P
1.8123825
Molar Refractivity
28.2553
Polarizability
10.620208
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
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RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
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
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC4080
MP Biomedicals
02158135
Matrix Scientific
003862
Sigma Aldrich
F13002
47271
Chemik
CHB83481
Bide Pharmatech
BD33438
Alfa Aesar
A13598
A&J Pharmtech
AJA-O6746
Academic Data
PubChem
9743
Names and Identifiers
Synonyms
3-Fluorophenol 98%
m-FLUOROPHENOL
3-Fluorophenol
3-氟苯酚
3-Fluorophenol
IUPAC Traditional name
M-fluorophenol
IUPAC name
3-fluorophenol
Registration numbers
EC Number
206-748-6
CAS Number
372-20-3
370-20-3
PubChem SID
160971620
24894758
24870819
Beilstein Number
1904536
MDL Number
MFCD00002254
PubChem CID
9743
Molecule Details
MP Biomedicals
02158135
Yellow liquid
1 ml = approx. 1.22 g
Sigma Aldrich
F13002
Packaging
10, 50, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
PubChem SID
•
Beilstein Number
•
MDL Number
•
PubChem CID
Properties
•
Safety Information
•
Physical Property
•
Product Information
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Storage Warning
IRRITANT, TOXIC
Source
Toxic/Harmful/Irritant/Corrosive/Store under Argon
Source
false
Source
否
Source
2-8°C
Source
Toxic (T)
25
-
37/38
-
41
Source
21/22
-
34
Source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
P280
-
P301+P310
-
P305+P351+P338
Source
P210
-
P260
-
P303+P361+P353
-
P305+P351+P338
-
P405
-P501A
UN 2810 6.1/PG 3
Source
26
-
39
-
45
Source
26
-
36/37/39
-
45
Source
6.1
Source
8
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
3
Source
III
Source
Danger
Source
3
Source
H301
-
H315
-
H318
Source
H314
-
H318
-
H302
-
H312
-
H227
Source
2810
Source
UN2922
Source
Physical Property
14°C
Source
8-12°C
Source
8-12 °C(lit.)
Source
12-14°C
Source
1.238
Source
1.22 g/ml
Source
1.238 g/mL at 25 °C(lit.)
Source
1.246
Product Information
98%
Source
≥97.0% (GC)
Source
96%
Source
Download link
Source
FC6H4OH
Source
purum
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), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Source
Refractive Index
1.5140
Source
1.514
Source
n20/D 1.514(lit.)
Source
n20/D 1.516
Source
Boiling Point
178°C
Source
178 °C(lit.)
Source
177-179°C
Source
Flash Point
71°C
Source
71 °C
Source
159.8 °F
Source
71°C(159°F)
Source
TSCA Listed
Storage Condition
European Hazard Symbols
Risk Statements
Personal Protective Equipment
GHS Precautionary statements
RID/ADR
Safety Statements
Hazard Class
GHS Pictograms
Packing Group
GHS Signal Word
German water hazard class
GHS Hazard statements
UN Number
Melting Point
Density
Purity
Certificate of Analysis
Linear Formula
Grade