Tri (hydroxymethyl) nitromethane is a chemical.
Essential information
Chinese Name: Tri (hydroxymethyl) nitromethane
English Name: tris (hydroxymethyl) nitromethane
Alias name: 2-hydroxymethyl-2-nitro-1,3-propanediol
Molecular formula: c4h9no5
Molecular weight: 151.12
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
Toxicology data
Acute toxicity data
Rat oral LD50: 1900mg / kg
Oral LD50 of mice: 1900mg / kg
Mouse peritoneal LD50: 4mg / kg
Rabbit oral ldlo: 250mg / kg
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
Computational chemistry data
1. Reference value for hydrophobic parameter calculation (xlogp): - 2.2
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond receptors: 5
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: None
6. Topological molecular 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. Number of indeterminate atomic stereocenters: 0
13. Determine the number of chemical bond steric centers: 0
14. Number of indeterminate chemical bond steric centers: 0
15. Number of covalent bond units: 1
Properties and stability
Basic properties: it is easy to decompose at high temperature and has no boiling point.
Storage method: store in a cool and ventilated place.
Synthetic method
Production method: nitromethane and formaldehyde are condensed under alkaline conditions. Raw material consumption (kg / T): nitromethane (≥ 95%) 634, formaldehyde (≥ 30%) 2120.
Use: disinfectant for inanimate objects. It is used in circulating industrial water system, oil cutting, non protein glue and slurry to inhibit bacterial propagation. Drug is an intermediate of acid amine.