7-bromo-5-chloroquinolin-8-ol

• ChemBase ID: 109210
• Molecular Formular: C9H5BrClNO
• Molecular Mass: 258.4991
• Monoisotopic Mass: 256.92430347
• SMILES: Oc1c2ncccc2c(Cl)cc1Br
• Canonical SMILES: Brc1cc(Cl)c2c(c1O)nccc2
• InChI: InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H
• InChIKey: ADJQQSUBKRASQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-5-chloroquinolin-8-ol
• IUPAC Traditional name: 7-bromo-5-chloroquinolin-8-ol
• Synonyms: 5-CHLORO-7-BROMO-8-HYDROXYQUINOLINE; 7-Bromo-5-chloro-8-hydroxyquinoline; 7-Bromo-5-chloro-8-quinolinol; 7-溴-5-氯-8-羟喹啉; 7-溴-5-氯-8-羟基喹啉

Database IDs

• CAS Number: 7640-33-7
• EC Number: 231-574-2
• MDL Number: MFCD00044601
• Beilstein Number: 153623
• PubChem SID: 162094971; 24861882
• PubChem CID: 82095

CALCULATED PROPERTIES

• Acid pKa: 7.0958133
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1836052
• LogD (pH = 7.4): 2.7248425
• Log P: 3.2001324
• Molar Refractivity: 54.3878 cm^3
• Polarizability: 22.222979 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: VC4585000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C9H5BrClNO

DETAILS

MP Biomedicals - 05210230

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 35704

Legal Information
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