2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene

• ChemBase ID: 140406
• Molecular Formular: C20H12Br2
• Molecular Mass: 412.11728
• Monoisotopic Mass: 409.93057438
• SMILES: c1ccc2c(c1)ccc(c2c1c2ccccc2ccc1Br)Br
• Canonical SMILES: Brc1ccc2c(c1c1c(Br)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
• InChIKey: IJUDEFZBMMRSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
• IUPAC Traditional name: 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
• Synonyms: 2,2'-Dibromo-1,1'-binaphthalene; (±)-2,2'-Dibromo-1,1'-binaphthyl; 2,2′-Dibromo-1,1′-binaphthyl; (+/-)-2,2'-二溴-1,1'-二联萘; 联萘二溴

Database IDs

• CAS Number: 74866-28-7
• MDL Number: MFCD00188005
• PubChem SID: 162234650
• PubChem CID: 619909

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.13693
• LogD (pH = 7.4): 7.13693
• Log P: 7.13693
• Molar Refractivity: 99.3402 cm^3
• Polarizability: 41.572674 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 178-183 °C
• Boiling Point: 178-183°C

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H413; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C20H12Br2

DETAILS

Sigma Aldrich - 676438

Packaging
1 g in glass bottle