m-tolylurea m-tolylurea

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:63-99-0

mdl number:none

einecs number:200-571-8

rtecs number:yu4025000

brn number:2639488

pubchem id:none

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):138 -143

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

6. boiling point (ºc, 5.2kpa): 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,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility:not sure

toxicological data

acute toxicity: rat oral ld50: 1330 mg/kg; rat intraperitonealld50: 410 mg/kg; mouse oral meridian ld50: 665 mg/kg; mouse abdominal cavity ld50: 538 mg /kg;

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 44.25

2. molar volume (m³/mol):125.9

3. isotonic specific volume (90.2k):337.9

4. surface tension (dyne/cm):51.7

5. polarizability（10^-24cm³):17.54

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: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 3

6. topological molecule polar surface area 55.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 147

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

none yet

synthesis method

none yet

purpose

none yet

mso-hansi-font-family: arial; mso-bidi-font-family: arial”>): 125.9

3. isotonic specific volume (90.2k):337.9

4. surface tension (dyne/cm):51.7

5. polarizability（10^-24cm³):17.54

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: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 3

6. topological molecule polar surface area 55.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 147

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

none yet

synthesis method

none yet

purpose

none yet