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.
