2-Chloro-5-(trifluoromethyl)benzonitrile
Structural formula
| Business number | 048E |
|---|---|
| Molecular formula | C8H3ClF3N |
| Molecular weight | 205.57 |
| label |
2-Chloro-5-trifluoromethylbenzonitrile, 2-Chloro-5-(trifluoromethyl)benzonitrile, 2-Chloro-5-(trifluoromethyl)benzonitrile, 98+%, 2-chloro-5-(trifluoromethyl)-benzonitril, Benzonitrile, 2-chloro-5-(trifluoromethyl)-, 2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE, 4-CHLORO-3-CYANOBENZOTRIFLUORIDE, 4-Chloro-3-cyanobenzotrifluoride 98%, 4-Chloro-3-cyanobenzotrifluoride98%, 2-CHLORO-5-TRIFLUOROMET |
Numbering system
CAS number:328-87-0
MDL number:MFCD00019742
EINECS number:206-338-7
RTECS number:None
BRN number:1912184
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.481
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 38-42
Boiling point (ºC, normal pressure ): 210-212
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
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: 41.13
2. Molar volume (m3/mol）：143.5
3. isotonic specific volume (90.2K):352.1
4. Surface tension (dyne/cm):36.2
5. Polarizability（10-24cm3):16.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 23.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 229
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
Storage method
None
Synthesis method
None
Purpose
None
