Tris(hydroxymethyl)nitromethane Tris(hydroxymethyl)nitromethane
Structural formula
| Business number | 03JX |
|---|---|
| Molecular formula | C4H9NO5 |
| Molecular weight | 151.12 |
| label |
2-Hydroxymethyl-2-nitro-1,3-propanediol, aliphatic compounds |
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.