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.