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321-60-8 molecular structure
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1-fluoro-2-phenylbenzene

ChemBase ID: 8526
Molecular Formular: C12H9F
Molecular Mass: 172.1982632
Monoisotopic Mass: 172.06882851
SMILES and InChIs

SMILES:
Fc1c(c2ccccc2)cccc1
Canonical SMILES:
Fc1ccccc1c1ccccc1
InChI:
InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey:
KLECYOQFQXJYBC-UHFFFAOYSA-N

Cite this record

CBID:8526 http://www.chembase.cn/molecule-8526.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-2-phenylbenzene
IUPAC Traditional name
1,1'-biphenyl, 2-fluoro-
Synonyms
2-Fluorobiphenyl
2-Fluoro-1,1’-biphenyl
2-Fluorodiphenyl
o-Fluorodiphenyl
NSC 10366
2-Fluoro-1,1'-biphenyl
2-Fluorobiphenyl
2-Fluorobiphenyl 98%
2-氟联苯
CAS Number
321-60-8
EC Number
206-290-7
MDL Number
MFCD00000317
Beilstein Number
2043175
PubChem SID
160971833
24870510
24846587
PubChem CID
67579

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.763173  LogD (pH = 7.4) 3.763173 
Log P 3.763173  Molar Refractivity 51.4106 cm3
Polarizability 20.994003 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Benzene expand Show data source
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
71-74 °C expand Show data source
71-74 °C(lit.) expand Show data source
71-74°C expand Show data source
72-76°C expand Show data source
73-74.5°C expand Show data source
73-75°C expand Show data source
Boiling Point
248 °C(lit.) expand Show data source
248°C expand Show data source
248°C expand Show data source
Density
1.245 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
DV5291000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41-50/53 expand Show data source
Safety Statements
26-39-60-61 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335-H410 expand Show data source
GHS Precautionary statements
P261-P273-P280-P305 + P351 + P338-P501 expand Show data source
Purity
≥98.0% (GC) expand Show data source
96% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5C6H4F expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 102741 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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