6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 75969
• Molecular Formular: C14H19Br
• Molecular Mass: 267.20466
• Monoisotopic Mass: 266.06701261
• SMILES: Brc1cc2c(cc1)C(C)(C)CCC2(C)C
• Canonical SMILES: Brc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C14H19Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
• InChIKey: NLOOVMVNNNYLFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 6-bromo-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
• Synonyms: 6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene; 6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene; 6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘

Database IDs

• CAS Number: 27452-17-1
• MDL Number: MFCD05664407
• PubChem SID: 162040887
• PubChem CID: 226685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3683853
• LogD (pH = 7.4): 5.3683853
• Log P: 5.3683853
• Molar Refractivity: 69.2104 cm^3
• Polarizability: 26.841503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 34-37°C; 34-37°C

Safety Information

• Storage Warning: Irritant/Light Sensitive
• TSCA Listed: 否

Product Information

• Purity: 90%; 97%; 98%