5-Chloro-8-hydroxyquinoline 5-Chloro-8-quinolinol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:130-16-5

MDL number:MFCD00006788

EINECS number:204-978-1

RTECS number:VC4590000

BRN number:5289

PubChem number:24857658

Physical property data

1. Melting point (℃):121-126

Toxicological data

1, acute toxicity: guinea pig oral LD5O: 1200mg/kg

2, mutagenicity: Salmonella gene mutation testing system: 50nmoL/plate

E. coli mutation testing system: 1mmol/L

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 48.96

2. Molar volume (m³/mol）：127.1

3. isotonic specific volume (90.2K):356.1

4. Surface Tension (dyne/cm):61.5

5. Polarizability（10^-24cm³):19.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 33.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 165

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Usage

Used in organic synthesis.

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6. Topological molecule polar surface area 33.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity :165

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units :1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Usage

Used in organic synthesis.