chlorothiazide chlorothiazide

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:58-94-6

mdl number:mfcd00058576

einecs number:200-404-9

rtecs number:dk9450000

brn number:none

pubchem number:24278150

physical property data

1. properties: white crystalline powder

2. density (g/ml,25/4℃)：1.839

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):342 ～343℃(decompose simultaneously)

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc, 3.07kpa):164

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

5. molecular property data:

1. molar refractive index: 61.83

2. molar volume (m³/mol）：144.4

3. isotonic specific volume (90.2k):452.8

4. surface tension (dyne/cm):96.5

5. polarizability(10^-24cm³): 24.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 532

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

this product should be sealed and stored away from light.

synthesis method

made from m-chloroaniline.

purpose

organic synthesis. fungicides.
can be used as a diuretic and antihypertensive drug, suitable for various types of edema and hypertension. the preparation is a tablet.

data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 532

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

this product should be sealed and stored away from light.

synthesis method

made from m-chloroaniline.

purpose

organic synthesis. fungicides.
can be used as a diuretic and antihypertensive drug, suitable for various types of edema and hypertension. the preparation is a tablet.