Phenylacetylurea Phenylacetylurea
Structural formula
| Business number | 01D1 |
|---|---|
| Molecular formula | C9H10N2O2 |
| Molecular weight | 178.19 |
| label |
None yet |
Numbering system
CAS number:63-98-9
MDL number:MFCD00007948
EINECS number:200-570-2
RTECS number:YU0875000
BRN number:None
PubChem ID:None
Physical property data
1. Character:White crystal or white crystalline powder.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL ,Air=1): Unsure
4. Melting point (ºC):214 -216
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Unsure
7. Refractive index:Not sure
8. Flash point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure ( Mouse abdominal cavityTDLo：1736 mg/kgSEX/DURATION : female 8-10 day(s) after conception
Ecological data
None yet
Molecular structure data
1. Molar refractive index:47.62
2. Molar volume (m3/mol）：145.4
3. isotonic specific volume (90.2K):390.7
4. Surface Tension (dyne/cm):52.0
5. Polarizability（10-24cm3):18.87
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: 2
5. Number of tautomers: 5
6. Topological molecule polar surface area 72.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 198
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
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
1.It is produced by heating reaction using thiourea and hydrazine hydrate as raw materials.
2.Hydrazine sulfate is prepared from hydrazine hydrate and sulfuric acid, reacts with ammonium thiocyanate to form hydrazine thiocyanate, and then reacts with acetaldehyde and hydrolyzes to obtain thiosemicarbazide.
Purpose
This product is an organic synthesis intermediate, used for the synthesis of anti-tuberculosis drugs thiosemicarbazide and sulfa drugs, and Rodenticide can also be used as an analytical reagent for the quantification of chromium and the identification of aldehydes and ketones. In addition, this product is also used as a pesticide intermediate, rubber additive and synthetic resin additive.
mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Polarizability（10-24cm3): 18.87
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: 2
5. Number of tautomers: 5
6. Topological molecule polar surface area 72.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 198
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
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
1.It is produced by heating reaction using thiourea and hydrazine hydrate as raw materials.
2.Hydrazine sulfate is prepared from hydrazine hydrate and sulfuric acid, reacts with ammonium thiocyanate to form hydrazine thiocyanate, and then reacts with acetaldehyde and hydrolyzes to obtain thiosemicarbazide.
Purpose
This product is an organic synthesis intermediate, used for the synthesis of anti-tuberculosis drugs thiosemicarbazide and sulfa drugs, and Rodenticide can also be used as an analytical reagent for the quantification of chromium and the identification of aldehydes and ketones. In addition, this product is also used as a pesticide intermediate, rubber additive and synthetic resin additive.
