structural formula
| business number | 047z |
|---|---|
| molecular formula | c8h3clf3no |
| molecular weight | 221.57 |
| label |
isocyanate – 4-chloro-3-(trifluoromethyl)phenyl ester, 4-chloro-3-trifluoromethylphenyl isocyanate, 4-chloro-3-trifluorotoluene isocyanate, 4-chloro-3-trifluoromethylphenyl isocyanate, 4-chloro-3-(trifluoromethyl)phenyl isocyanate, 3-trifluoromethyl-4-chloro-phenyl isocyanate, 4-chloro-3-(trifluoromethyl)phenyl isocyanate 98%, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene, 4-chloro-α,α,α-trifluoro-m-tolyl isocyanate |
numbering system
cas number:327-78-6
mdl number:mfcd00013874
einecs number:000-000-0
rtecs number:none
brn number:522032
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):33-37
boiling point (ºc, normal pressure): 86-90
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: 45.51
2. molar volume (m3/mol）：158.2
3. isotonic specific volume (90.2k):378.1
4. 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: 45.51
2. molar volume (m3/mol）：158.2
3. isotonic specific volume (90.2k):378.1
4. surface tension (dyne/cm):32.5
5. polarizability（10-24cm3):18.04
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: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 29.4
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 250
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
span> surface tension (dyne/cm）：32.5
5. polarizability（10-24cm3):18.04
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: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 29.4
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 250
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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