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
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