3-nitro-5-(trifluoromethyl)benzoic acid
structural formula
| business number | 048c |
|---|---|
| molecular formula | c8h4f3no4 |
| molecular weight | 235.12 |
| label |
3-nitro-5-(trifluoromethyl)benzoic acid, rarechem al bo 1012, 3-trifluoromethyl-5-nitrobenzoic acid, 3-nitro-5-(trifluoromethyl)benzoic acid, 3-carboxy-5-nitrobenzotrifluoride, a,a,a-trifluoro-5-nitro-m-toluic acid, labotest-bb lt00454389, buttpark 25\01-30, 3-nitro-5-(trifluoromethyl)benzoic acid 97% |
numbering system
cas number:328-80-3
mdl number:mfcd00024509
einecs number:000-000-0
rtecs number:none
brn number:2284651
pubchem id:none
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 128
boiling point (ºc, normal pressure):not available
boiling point (ºc, 5.2kpa): not available
refraction rate: not available
flash point (ºc): not available
optical rotation (º): not available
spontaneous combustion point or ignition temperature (ºc): not available
steam pressure (kpa, 25ºc): not available
saturated vapor pressure (kpa, 60ºc): not available
burn heat (kj/mol):not available
critical temperature (ºc): not available
critical pressure (kpa): not available
oil and water log value of the (octanol/water) partition coefficient:not available
explosion upper limit (%, v/v): not available
explosion lower limit (%, v/v): not available
dissolve properties: not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1. molar refractive index:44.70
2. molar volume (m3/mol):147.3
3. isotonic specific volume (90.2k): 382.0
solubility:not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1. molar refractive index:44.70
2. molar volume (m3/mol):147.3
3. isotonic specific volume (90.2k): 382.0
4. surface tension (dyne/cm): 45.2
5. polarizability（10 -24cm3)：17.72
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 83.1
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 299
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
ast-font-family: arial”>4. surface tension (dyne/cm）：45.2
5. polarizability（10 -24cm3)：17.72
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 83.1
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 299
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
