2-ethylanthracene

• ChemBase ID: 150552
• Molecular Formular: C16H14
• Molecular Mass: 206.28236
• Monoisotopic Mass: 206.10955045
• SMILES: CCc1ccc2cc3ccccc3cc2c1
• Canonical SMILES: CCc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3
• InChIKey: ZXAGXLDEMUNQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylanthracene
• IUPAC Traditional name: 2-ethylanthracene
• Synonyms: 2-Ethylanthracene; 2-乙基蒽

Database IDs

• CAS Number: 52251-71-5
• EC Number: 257-788-6
• MDL Number: MFCD00003584
• PubChem SID: 24852844; 162244713
• PubChem CID: 40300

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.910189
• LogD (pH = 7.4): 4.910189
• Log P: 4.910189
• Molar Refractivity: 68.6006 cm^3
• Polarizability: 29.350916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-153 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41-50/53
• Safety Statements: 26-39-60-61
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C16H14

DETAILS

Sigma Aldrich - 214663

Packaging
1 g in glass bottle