Toluene diisocyanate manufacturer Knowledge Phenylacetylurea Phenylacetylurea

Phenylacetylurea Phenylacetylurea

Phenylacetyl urea Structural Formula

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 cavityTDLo1736 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. Polarizability10-24cm3):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”>Polarizability10-24cm3): 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.

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