Chlormezanone Chlormezanone

Structural formula

Business number	01RJ
Molecular formula	C11H12ClNO3S
Molecular weight	273.74
label	2-p-Chlorophenyl-3-methyl-1,3-hydrothiazinone-[4]-1,1-dioxide

• 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:80-77-3

MDL number:MFCD00143951

EINECS number:201-307-4

RTECS number:XJ1050000

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Appearance: white crystalline powder.

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC):116.2 -118.2℃

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

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure.

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

11. Vapor pressure (kPa,25ºC): Unsure

12. &n%; TEXT-ALIGN: left; mso-pagination: widow-orphan; mso-layout-grid-align: none” align=left>Mouse caliberLD50：600mg/ kg; mouse abdominal cavity LD50: 322mg/kg;

Dog caliber LD50: >400mg/kg;

Pig abdominal cavity LD50: 600mg/kg;

2, other multiple dose toxicity data

Rat caliber TDL0: 3975 mg/kg/5D-C

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 65.48

2. Molar Volume (m³/mol）：196.7

3. isotonic specific volume (90.2K):520.7

4. Surface Tension (dyne/cm):49.1

5. Polarizability（10^-24cm³):25.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 62.8

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 395

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None yet

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4. Surface Tension (dyne/cm):49.1

5. Polarizability（10^-24cm³):25.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 62.8

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 395

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None yet