2-(2H3)methyl(2H7)naphthalene

• ChemBase ID: 138118
• Molecular Formular: C11H10
• Molecular Mass: 142.1971
• Monoisotopic Mass: 142.07825032
• SMILES: c1ccc2cc(ccc2c1)C
• Canonical SMILES: Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
• InChIKey: QIMMUPPBPVKWKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^2H₃)methyl(^2H₇)naphthalene
• IUPAC Traditional name: 2-(^2H₃)methyl(^2H₇)naphthalene
• Synonyms: 2-Methylnaphthalene-d10; 2-甲基萘-d10

Database IDs

• CAS Number: 7297-45-2
• MDL Number: MFCD00274294
• PubChem SID: 162232376; 24868903
• PubChem CID: 11062578

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.476144
• LogD (pH = 7.4): 3.476144
• Log P: 3.476144
• Molar Refractivity: 47.5494 cm^3
• Polarizability: 19.94985 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-36 °C(lit.)
• Boiling Point: 241-242 °C(lit.)
• Flash Point: 208.4 °F; 98 °C
• Density: 1.071 g/mL at 25 °C(lit.)
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-51/53
• Safety Statements: 26-37/39-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• RID/ADR: UN 3077 9/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Linear Formula: C10D7CD3

DETAILS

Sigma Aldrich - 454249

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.