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324-74-3 molecular structure
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1-fluoro-4-phenylbenzene

ChemBase ID: 8527
Molecular Formular: C12H9F
Molecular Mass: 172.1982632
Monoisotopic Mass: 172.06882851
SMILES and InChIs

SMILES:
Fc1ccc(cc1)c1ccccc1
Canonical SMILES:
Fc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey:
RUYZJEIKQYLEGZ-UHFFFAOYSA-N

Cite this record

CBID:8527 http://www.chembase.cn/molecule-8527.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-4-phenylbenzene
IUPAC Traditional name
4-fluorobiphenyl
Synonyms
4-Fluoro-1,1'-biphenyl
4-Fluorobiphenyl
4-Fluorodiphenyl
4-Fluorobiphenyl 97%
4-Fluorobiphenyl
4-氟联苯
CAS Number
324-74-3
EC Number
206-304-1
MDL Number
MFCD00011650
Beilstein Number
2042410
PubChem SID
24879341
160971834
PubChem CID
9461

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 20.987026 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)
Melting Point
72-76°C expand Show data source
74-75°C expand Show data source
75-79 °C(lit.) expand Show data source
Boiling Point
253°C expand Show data source
283-284 °C(lit.) expand Show data source
310°C expand Show data source
Flash Point
>100°C expand Show data source
Density
1.288 g/mL(lit.) expand Show data source
Refractive Index
n20/D 1.5200(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
DV5291200 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
97% expand Show data source
97+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5C6H4F expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206173 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 553638 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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