benzoylurea

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:86-96-4

mdl number:mfcd00006699

einecs number:201-712-6

rtecs number:va1390000

brn number:383776

pubchem number:24848378

physical property data

1. character:white needle-shaped crystal

2. density (g/ml,25/4℃): undetermined

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

4. melting point (ºc)：300℃

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

6. boiling point (ºc,5.2kpa): undetermined

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

：1447mg/kg；

2 , reproductive toxicity

rat caliber tdl0: 17400 mg/kgsex/duration

ecological data

none yet

molecular structure data

1. molar refractive index: 40.77

2. molar volume (m³/mol）：121.3

3. isotonic specific volume (90.2k):319.3

4. surface tension (dyne/cm):47.9

5. polarizability（10^-24cm³):16.16

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: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 12

6. topological molecule polar surface area 58.2

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 227

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

avoid light and store in an airtight container.

synthesis method

none yet

purpose

organic synthesis intermediates.

style=”font-size: 9pt; font-family: arial”>dyne/cm): 47.9

5. polarizability（10^-24cm³):16.16

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: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 12

6. topological molecule polar surface area 58.2

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 227

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

avoid light and store in an airtight container.

synthesis method

none yet

purpose

organic synthesis intermediates.