benzoylurea
structural formula
| business number | 01xb |
|---|---|
| molecular formula | c8h6n2o2 |
| molecular weight | 162.15 |
| label |
2,4-quinazolinedione, benzotetrahydropyrimidine-2,4-dione, 2,4-dihydroxyquinazoline, 2,4(1h,3h)-quinazolinedione |
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.