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2350-89-2 molecular structure
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1-ethenyl-4-phenylbenzene

ChemBase ID: 150554
Molecular Formular: C14H12
Molecular Mass: 180.24508
Monoisotopic Mass: 180.09390038
SMILES and InChIs

SMILES:
C=Cc1ccc(cc1)c1ccccc1
Canonical SMILES:
C=Cc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2
InChIKey:
HDBWAWNLGGMZRQ-UHFFFAOYSA-N

Cite this record

CBID:150554 http://www.chembase.cn/molecule-150554.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-4-phenylbenzene
IUPAC Traditional name
1-ethenyl-4-phenylbenzene
Synonyms
4-Phenylstyrene
4-Vinylbiphenyl
4-苯基苯乙烯
4-乙烯基联苯
CAS Number
2350-89-2
EC Number
219-082-6
MDL Number
MFCD00008620
Beilstein Number
2039221
PubChem SID
24900720
162244715
PubChem CID
16883

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16883 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3571734  LogD (pH = 7.4) 4.3571734 
Log P 4.3571734  Molar Refractivity 60.8805 cm3
Polarizability 25.087067 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
115-116°C expand Show data source
119-121 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
53 expand Show data source
TSCA Listed
expand Show data source
GHS Hazard statements
H413 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
C6H5C6H4CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - V1805 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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