chlormezanone chlormezanone

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: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: wi-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