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
