m-Tolylurea m-Tolylurea

Structural formula

Business number	01D2
Molecular formula	C8H10N2O
Molecular weight	150.18
label	None yet

• 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:63-99-0

MDL number:None

EINECS number:200-571-8

RTECS number:YU4025000

BRN number:2639488

PubChem ID:None

Physical property data

1. Character: Uncertain

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,Air=1): Unsure

4. Melting point (ºC):138 -143

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 (kPa,60ºC%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility:Not sure

Toxicological data

Acute toxicity: Rat oral LD50: 1330 mg/kg; Rat intraperitonealLD50: 410 mg/kg; Mouse Oral Meridian LD50: 665 mg/kg; mouse abdominal cavity LD50: 538 mg /kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 44.25

2. Molar volume (m³/mol):125.9

3. isotonic specific volume (90.2K):337.9

4. Surface Tension (dyne/cm):51.7

5. Polarizability（10^-24cm³):17.54

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 55.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 147

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

None yet

Synthesis method

None yet

Purpose

None yet

mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>): 125.9

3. isotonic specific volume (90.2K):337.9

4. Surface Tension (dyne/cm):51.7

5. Polarizability（10^-24cm³):17.54

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 55.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 147

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

None yet

Synthesis method

None yet

Purpose

None yet