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.