tris(hydroxymethyl)nitromethane tris(hydroxymethyl)nitromethane

structural formula

• 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:126-11-4

mdl number:mfcd00007395

einecs number:204-769-5

rtecs number:ty7350000

brn number:1768985

pubchem number:24846654

physical property data

1.character: white crystal

2. melting point: 214℃

3. solubility: 220g/100ml (in 20℃ water)

4. solubility: easily soluble in alcohol, slightly soluble in benzene and other hydrocarbons

5. acidity and alkalinity: the ph of 0.1m aqueous solution is 4.5

toxicological data

acute toxicity data

rat oral ld50: 1900mg/kg

mouse oral ld50: 1900mg/kg

mouse abdominal cavity ld50: 4mg/kg

rabbit oral administrationldlo: 250 mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1 , molar refractive index:31.17

2. molar volume (m³/mol）：99.9

3. isotonic specific volume (90.2k):295.1

4. surface tension (dyne/cm):76.1

5. polarizability（10^-24cm³):12.35

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -2.2

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 107

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 107

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

basic properties: easily decomposes at high temperatures and has no boiling point

storage method

storage: store sealed in a cool and ventilated place.

synthesis method

brief description of production method: obtained from the condensation of nitromethane and formaldehyde under alkaline conditions. raw material consumption (kg/t) nitromethane (≥95%) 634, formaldehyde (≥30%) 2120

purpose

purpose: disinfectant for inanimate objects. used in circulating industrial water systems, cutting oils, non-protein glues and slurries to inhibit bacterial growth. drug buffer acid amine intermediate.

�: store sealed in a cool and ventilated place.

synthesis method

brief description of production method: obtained from the condensation of nitromethane and formaldehyde under alkaline conditions. raw material consumption (kg/t) nitromethane (≥95%) 634, formaldehyde (≥30%) 2120

purpose

purpose: disinfectant for inanimate objects. used in circulating industrial water systems, cutting oils, non-protein glues and slurries to inhibit bacterial growth. drug buffer acid amine intermediate.