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330-84-7 molecular structure
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1-fluoro-4-phenoxybenzene

ChemBase ID: 8529
Molecular Formular: C12H9FO
Molecular Mass: 188.1976632
Monoisotopic Mass: 188.06374313
SMILES and InChIs

SMILES:
c1c(ccc(c1)Oc1ccccc1)F
Canonical SMILES:
Fc1ccc(cc1)Oc1ccccc1
InChI:
InChI=1S/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey:
AODSTUBSNYVSSL-UHFFFAOYSA-N

Cite this record

CBID:8529 http://www.chembase.cn/molecule-8529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-4-phenoxybenzene
IUPAC Traditional name
1-fluoro-4-phenoxybenzene
Synonyms
4-Fluorophenyl phenyl ether
4-Fluorodiphenyl ether
4-Fluorodiphenyl ether 99%
4-Fluorophenyl phenyl ether
4-Fluorodiphenyl ether
4-氟联苯醚
4-氟二苯醚
4-氟联苯醚
CAS Number
330-84-7
EC Number
206-357-0
MDL Number
MFCD00055239
Beilstein Number
2047183
PubChem SID
160971836
PubChem CID
67614

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.616235  LogD (pH = 7.4) 3.616235 
Log P 3.616235  Molar Refractivity 52.5152 cm3
Polarizability 20.302101 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
147-149 °C/53 mmHg(lit.) expand Show data source
147-149°C/53mm expand Show data source
Flash Point
123 °C expand Show data source
253.4 °F expand Show data source
Density
1.14 expand Show data source
1.155 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.5570 expand Show data source
n20/D 1.557 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥98.0% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C12H9FO expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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