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
• 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.