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827-54-3 molecular structure
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2-ethenylnaphthalene

ChemBase ID: 92186
Molecular Formular: C12H10
Molecular Mass: 154.2078
Monoisotopic Mass: 154.07825032
SMILES and InChIs

SMILES:
C=Cc1cc2c(cc1)cccc2
Canonical SMILES:
C=Cc1ccc2c(c1)cccc2
InChI:
InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2
InChIKey:
KXYAVSFOJVUIHT-UHFFFAOYSA-N

Cite this record

CBID:92186 http://www.chembase.cn/molecule-92186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethenylnaphthalene
IUPAC Traditional name
2-vinylnaphthalene
Synonyms
2-Vinylnaphthalene
2-Ethenylnaphthalene
2-Vinylnaphthalene
2-乙烯基萘
2-乙烯萘 97%
CAS Number
827-54-3
EC Number
212-573-6
MDL Number
MFCD00004125
Beilstein Number
2038190
PubChem SID
24900738
162078884
24868863
PubChem CID
13230

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6994247  LogD (pH = 7.4) 3.6994247 
Log P 3.6994247  Molar Refractivity 52.1945 cm3
Polarizability 21.622435 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
60-62°C expand Show data source
62-67°C expand Show data source
64-68 °C(lit.) expand Show data source
Boiling Point
128-131°C/13mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
20/21/22-68/20/21/22 expand Show data source
20/22-36/37/38 expand Show data source
Safety Statements
36/37 expand Show data source
9-26-36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H332-H315-H319-H335 expand Show data source
H302-H371 expand Show data source
GHS Precautionary statements
P260 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
97% expand Show data source
97%, stab. with ca 0.4% 4-tert-butylcatechol expand Show data source
98% expand Show data source
Grade
optical grade expand Show data source
Impurities
<5% methyl alcohol expand Show data source
Linear Formula
C10H7CH=CH2 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR8644 external link
Stabilised with 0.4% 4-tert-Butylcatechol
Sigma Aldrich - 453870 external link
Packaging
1 g in glass bottle
Application
Used in plastic scintillators, neutron detectors and other demanding device applications.
Sigma Aldrich - V2909 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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