Benzoylurea

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28268

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