2-Nitro-2-methyl-1,3-propanediol 2-Nitro-2-methyl-1,3-propanediol
Structural formula
| Business number | 01LU |
|---|---|
| Molecular formula | C4H9NO4 |
| Molecular weight | 135.12 |
| label |
2-Methyl-2-nitro-1,3-propanediol, 2-Methyl-2-nitro-1,3-propanediol |
Numbering system
CAS number:77-49-6
MDL number:MFCD00024812
EINECS number:201-031-4
RTECS number:TY8925000
BRN number:None
PubChem ID:None
Physical property data
1. Character: Unsure.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Unsure
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flashpoint (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
Mouse skinLD50: >10ml/kg; mouse abdominal cavity LD50: 1600mg/kg;
Rabbit caliberLD50: 1mg/kg;
2, other multiple dose toxicity data
Rabbit skin TDL0: 18mL/kg/13W-I
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 29.63
2. Molar volume (m3/mol）：102.4
3. isotonic specific volume (90.2K):278.3
4. Surface Tension (dyne/cm):54.6
5. Polarizability（10-24cm3):11.74
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 86.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 104
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
FONT-FAMILY: Arial; mso-fareast-font-family: Arial”>4. Surface tension (dyne/cm): 54.6
5. Polarizability（10-24cm3):11.74
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 86.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 104
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet