3-Bromo-6-hydroxyquinoline supplier

Name
3-Bromo-6-hydroxy quinoline
EINECS
CAS No. 13669-57-3
Article Data9
CAS DataBase
Density 1.705 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO
Boiling Point 348.4 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 164.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromoquinolin-6-ol;
PSA 33.12000
LogP 2.70290

3-Bromo-6-hydroxyquinoline Specification

The 3-Bromo-6-hydroxyquinoline has CAS registry number 13669-57-3. This chemical's molecular formula is C₉H₆BrNO and molecular weight is 224.054. What's more, its systematic name is 3-Bromoquinolin-6-ol.

Physical properties about 3-Bromo-6-hydroxyquinoline are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 71.74; (6)ACD/BCF (pH 7.4): 63.8; (7)ACD/KOC (pH 5.5): 740.66; (8)ACD/KOC (pH 7.4): 658.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 51.75 cm³; (15)Molar Volume: 131.3 cm³; (16)Polarizability: 20.51×10^-24 cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.705 g/cm³; (19)Flash Point: 164.5 °C; (20)Enthalpy of Vaporization: 61.62 kJ/mol; (21)Boiling Point: 348.4 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc2ncc(Br)cc2c1
(2) InChI: InChI=1/C9H6BrNO/c10-7-3-6-4-8(12)1-2-9(6)11-5-7/h1-5,12H
(3) InChIKey: IGCRMJVOMNKTGB-UHFFFAOYAN

Product Name

3-Bromo-6-hydroxy quinoline

3-Bromo-6-hydroxyquinoline Specification

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