2-chloro-5-(trifluoromethyl)benzonitrile

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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