6-bromo-2-chloroquinoline

• ChemBase ID: 64649
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: n1c2c(cc(cc2)Br)ccc1Cl
• Canonical SMILES: Brc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C9H5BrClN/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
• InChIKey: YXRDWUJAJLDABJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloroquinoline
• IUPAC Traditional name: 6-bromo-2-chloroquinoline
• Synonyms: 6-Bromo-2-chloroquinoline; 2-Chloro-6-bromoquinoline; 6-Bromo-2-chloroquinoline; 6-Bromo-2-chloro-quinoline; 6-溴-2-氯喹啉

Database IDs

• CAS Number: 1810-71-5
• MDL Number: MFCD04115272
• PubChem SID: 162030388
• PubChem CID: 12894086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7238743
• LogD (pH = 7.4): 3.723875
• Log P: 3.723875
• Molar Refractivity: 53.4682 cm^3
• Polarizability: 21.594332 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Crystalline Solid
• Melting Point: 148-150°C; 159 - 161°C
• Hydrophobicity(logP): 3.711

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 96%; 97%