Toluene diisocyanate manufacturer Knowledge 2-Methyl-4(5)-nitroimidazole

2-Methyl-4(5)-nitroimidazole

2-methyl-4(5)-nitroimidazole structural formula

Structural formula

Business number 07AU
Molecular formula C4H5N3O2
Molecular weight 127.10
label

2-Methyl-4-nitroimidazole,

2-Methyl-4-Nitro-1 H-Imidazole,

Intermediates of metronidazole,

Heterocyclic compounds

Numbering system

CAS number:696-23-1

MDL number:MFCD00151322

EINECS number:211-790-3

RTECS number:NI7550000

BRN number:4032

PubChem number:24848270

Physical property data

1. Characteristics: slightly white powder.


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC): 251-255


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


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of partition coefficient (water): undetermined


17. Explosion upper limit (%,V/V ): Undetermined


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


19. Solubility: slightly soluble in water.

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 30.14


2. Molar volume(m3/ mol89.0


3. isotonic ratio(90.2K254.1


4. Surface Tensiondyne/cm)66.2


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability:11.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 74.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 122

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

Keep away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

Use 2-Methylimidazole is produced by nitration of mixed acid.

Purpose

Metronidazole intermediate)

Resource:allhdi.com

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