5,7-Dichloro-2-methyl-8-hydroxyquinoline

2024-05-17by admin0

5,7-Dichloro-2-methyl-8-hydroxyquinoline structural formula

Structural formula

Business number 01H9
Molecular formula C10H7Cl2NO
Molecular weight 228.07
label

Chloroquinadol,

5,7-Dichloro-2-methyl-8-hydroxyquinoline,

5,7-Dichloro-8-hydroxyquinaldine,

5,7-Dichloro-2-methyl-8-hydroxyquinoline,

5,7-Dichloro-8-quinaldol,

5,7-Dichloro-2-methyl-8-quinolinol,

Hydroxydichloroquinaldine,

BCM

Numbering system

CAS number:72-80-0

MDL number:MFCD00023984

EINECS number:200-789-3

RTECS number:VC5600000

BRN number:156683

PubChem number:24893930

Physical property data

1. Character: Uncertain


2. Density (g/mL,25/4): Unsure


3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC):108-112 (dec.)(lit.)


5. Boiling point (ºC,Normal pressure): Unsure


6. Boiling point (ºC, 5.2 kPa): Unsure


7. Refractive index:Not sure


8. Flash Point (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25 ºC): Unsure


12. Saturated vapor pressure (kPa,60 ºC): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit (%,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility:Insoluble in water

Toxicological data

Acute toxicity: Rat oral administration LD50: 660 mg/kg; dog oral administration LD50: 2250 mg/kg;Rabbit oral LD50160 mg/kg;
Mutagenic:Aspergillus nidulansSex chromosome nondisjunction loss and testing system 1 gm/L;

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 58.68


2. Molar Volume (m3/mol):155.3


3. isotonic specific volume (90.2K):429.6


4. Surface Tension (dyne/cm):58.4


5. Polarizability10-24cm3):23.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.5

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: 14

8. Surface charge: 0

9. Complexity: 214

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

Storage method

None

Synthesis method

None

Purpose

None

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