1-ethenylnaphthalene

• ChemBase ID: 150151
• Molecular Formular: C12H10
• Molecular Mass: 154.2078
• Monoisotopic Mass: 154.07825032
• SMILES: C=Cc1cccc2c1cccc2
• Canonical SMILES: C=Cc1cccc2c1cccc2
• InChI: InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2
• InChIKey: IGGDKDTUCAWDAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenylnaphthalene
• IUPAC Traditional name: 1-vinylnaphthalene
• Synonyms: 1-Ethenylnaphthalene; (Naphthalen-1-yl)ethene; α-Vinylnaphthalene; 1-Vinylnaphthalene; 1-Vinylnaphthalene; 1-乙烯基萘

Database IDs

• CAS Number: 826-74-4
• EC Number: 212-560-5
• MDL Number: MFCD00075766
• PubChem SID: 162244312; 24877761
• PubChem CID: 70004

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: 21.62389 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Hexane; Methanol
• Apperance: Colourless to Pale Green Liquid
• Boiling Point: 135-138 °C(lit.); 135-138°C; 74°C/0.2mm
• Flash Point: 101 °C; 213.8 °F
• Density: 1.04; 1.04 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.653(lit.)

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Air & Moisture Sensitive; Readily Polymerizes
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-51/53; 36/37/38
• Safety Statements: 23-26-37-60; 26-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H411; H315-H319-H335
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• RID/ADR: UN 3082 9/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: 95%; 95%, stab. with 4-tert-butylcatechol; 95+%; 97%
• Impurities: ≤2% poly(1-vinylnaphthalene)
• Contains: 3000 ppm tert-butylcatechol as inhibitor
• Linear Formula: C10H7CH=CH2

DETAILS

Sigma Aldrich - 530581

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - V425000

A precursor of polynuclear aromatic hydrocarbons in tobacco smoke.