2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene

• ChemBase ID: 144932
• Molecular Formular: C22H18
• Molecular Mass: 282.37832
• Monoisotopic Mass: 282.14085058
• SMILES: Cc1ccc2ccccc2c1c1c(ccc2c1cccc2)C
• Canonical SMILES: Cc1ccc2c(c1c1c(C)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C22H18/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22/h3-14H,1-2H3
• InChIKey: KDHFKMDVFWYSPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
• IUPAC Traditional name: 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
• Synonyms: 2,2′-Dimethyl-1,1′-binaphthyl; 2,2′-Dimethyl-1,1′-binaphthalene; 2,2′-二甲基-1,1′-联萘

Database IDs

• CAS Number: 60536-98-3
• MDL Number: MFCD01863647
• PubChem SID: 24873299; 162239144
• PubChem CID: 141748

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6262674
• LogD (pH = 7.4): 6.6262674
• Log P: 6.6262674
• Molar Refractivity: 94.177 cm^3
• Polarizability: 40.418793 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 190-210 °C/0.2 mmHg(lit.)
• Flash Point: 110 °C; 230 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90%
• Linear Formula: (CH3C10H6-)2

DETAILS

Sigma Aldrich - 499773

Packaging
1, 10 g in glass bottle