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Molecule
ID:7788
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₇F
Molecular Mass
146.1609832
Exact Mass
146.05317844
Charge
0
InChI
InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
CWLKTJOTWITYSI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1cccc2
Isomeric Smiles
Fc1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1054244
LogD (pH = 7.4)
3.1054244
Log P
3.1054244
Molar Refractivity
42.7246
Polarizability
17.529308
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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
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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
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IUPAC 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
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TRC
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC3830
Matrix Scientific
002984
MP Biomedicals
02158119
05205901
Sigma Aldrich
196657
47120
442266
TRC
F593760
Chemik
CHB86392
Bide Pharmatech
BD41596
Alfa Aesar
A18378
Academic Data
PubChem
9450
Names and Identifiers
Synonyms
1-Fluoronaphthalene
α-Fluoronaphthalene
NSC 4690
Duloxetine USP Impurity G
1-氟萘
1-Fluoronaphthalene
1-Fluoronaphthalene 99%
IUPAC Traditional name
1-fluoronaphthalene
IUPAC name
1-fluoronaphthalene
Registration numbers
CAS Number
321-38-0
EC Number
206-287-0
MDL Number
MFCD00003873
PubChem SID
24867766
160971095
24851780
PubChem CID
9450
Beilstein Number
1906413
Molecule Details
MP Biomedicals
02158119
1 ml = approx. 1.13 g
05205901
MP Biomedicals Rare Chemical collection
Sigma Aldrich
196657
Packaging
5, 25 g in glass bottle
TRC
F593760
A fluorinated naphthalene derivative that is metabolized by fungal monooxygenase-epoxide hydrolase. Duloxetine (D721000) impurity.
References
PubChem Literature
From Data Sources
•
Cerniglia, C.E. et al.: Appl. Env. Microbiol., 48, 294 (1984)
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
EC Number
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MDL Number
•
PubChem SID
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PubChem CID
•
Beilstein Number
Properties
Safety Information
RTECS
QJ7100000
Source
Storage Warning
IRRITANT
Source
Irritant
Source
MSDS Link
Download link
Source
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true
Source
是
Source
Room Temperature (15-30°C)
Source
Refrigerator
Source
P261
-
P305+P351+P338
Source
P210
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Warning
Source
3
Source
Irritant (Xi)
36/37/38
Source
H315
-
H319
-
H335
Source
H315
-
H319
-
H335
-
H227
Source
26
-
36
Source
26
-
37
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
Physical Property
1.5930
Source
1.593
Source
n20/D 1.593(lit.)
Source
n20/D 1.593
Source
1.332
Source
1.13 g/ml
Source
1.1322 g/mL at 20 °C(lit.)
Source
1.331
Product Information
99%
Source
≥99.0% (GC)
Source
98%
Source
Download link
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215°C
Source
215-217°C
Source
215 °C(lit.)
Source
215-217°C
Source
-13°C
Source
-9°C
Source
-13 °C(lit.)
Source
-10°C
Source
65°C
Source
149 °F
Source
65 °C
Source
65°C(149°F)
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Ethyl Acetate
Source
Chloroform
Source
Clear Yellow Oil
Source
C10H7F
Source
puriss.
Source
analytical standard
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ampule of 1000 mg
Source
TSCA Listed
Storage Condition
GHS Precautionary statements
Personal Protective Equipment
GHS Signal Word
German water hazard class
European Hazard Symbols
Risk Statements
GHS Hazard statements
Safety Statements
GHS Pictograms
Refractive Index
Density
Purity
Certificate of Analysis
Boiling Point
Melting Point
Flash Point
Solubility
Apperance
Empirical Formula (Hill Notation)
Grade
Packaging