Benzoylurea

Benzoylurea Structural Formula

Benzoylurea Structural Formula

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. Polarizability10-24cm3):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. Polarizability10-24cm3):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.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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