2-ethenylnaphthalene

• ChemBase ID: 92186
• Molecular Formular: C12H10
• Molecular Mass: 154.2078
• Monoisotopic Mass: 154.07825032
• 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

NAMES AND DATABASE IDS

Names

• 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%

Database IDs

• 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

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6994247
• LogD (pH = 7.4): 3.6994247
• Log P: 3.6994247
• Molar Refractivity: 52.1945 cm^3
• Polarizability: 21.622435 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62°C; 62-67°C; 64-68 °C(lit.)
• Boiling Point: 128-131°C/13mm
• Flash Point: >110°C(230°F)

Safety Information

• Storage Warning: Irritant/Keep Cold
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-68/20/21/22; 20/22-36/37/38
• Safety Statements: 36/37; 9-26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H332-H315-H319-H335; H302-H371
• GHS Precautionary statements: P260; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 97%, stab. with ca 0.4% 4-tert-butylcatechol; 98%
• Grade: optical grade
• Impurities: <5% methyl alcohol
• Linear Formula: C10H7CH=CH2

DETAILS

Apollo Scientific Ltd - OR8644

Stabilised with 0.4% 4-tert-Butylcatechol

Sigma Aldrich - 453870

Packaging
1 g in glass bottle
Application
Used in plastic scintillators, neutron detectors and other demanding device applications.

Sigma Aldrich - V2909

Packaging
5, 25 g in glass bottle