5,7-dibromoquinolin-8-ol

• ChemBase ID: 103181
• Molecular Formular: C9H5Br2NO
• Molecular Mass: 302.9501
• Monoisotopic Mass: 300.87378779
• SMILES: Oc1c(Br)cc(Br)c2c1nccc2
• Canonical SMILES: Brc1cc(Br)c2c(c1O)nccc2
• InChI: InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: ZDASUJMDVPTNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dibromoquinolin-8-ol
• IUPAC Traditional name: broxyquinoline
• Synonyms: 5,7-Dibromo-8-hydroxyquinoline; Broxyquinoline; 5,7-Dibromo-8-quinolinol; 5,7-dibromoquinolin-8-ol; 5,7-Dibromo-8-quinolinol; Bromoxin; 5,7-DIBROMO-8-HYDROXYQUINOLINE; Broxyquinoline; 5,7-二溴-8-羟基喹啉; 溴羟喹啉; 5,7-二溴-8-羟基喹啉

Database IDs

• CAS Number: 521-74-4
• EC Number: 208-317-8
• MDL Number: MFCD00006785
• Beilstein Number: 153624
• Merck Index: 141453
• PubChem SID: 162090927; 24893822
• PubChem CID: 2453

CALCULATED PROPERTIES

• Acid pKa: 7.1352267
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.348766
• LogD (pH = 7.4): 2.9146006
• Log P: 3.3648405
• Molar Refractivity: 57.2058 cm^3
• Polarizability: 23.251236 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198-200 °C; 198-200 °C(lit.); 198-203°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VC5300000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: ~96%; ≥97.0% (AT); 97%; 98%
• Grade: purum
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C9H5Br2NO

DETAILS

MP Biomedicals - 02150854

Light yellow crystals.
Approx. 96%
Reagent for copper, iron and other metals.

MP Biomedicals - 05211985

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D41600

Application
Reagent for copper, iron and other metals.
Packaging
25 g in poly bottle

REFERENCES

• Reagent for Cu, Fe and Ti.