Structural formula
Business number | 01WL |
---|---|
Molecular formula | C14H9Cl2NO |
Molecular weight | 278.13 |
label |
None yet |
Numbering system
CAS number:86-38-4
MDL number:MFCD00005028
EINECS number:201-666-7
RTECS number:None
BRN number:None
PubChem number:24848741
Physical property data
1. Physical property data
1. Character:Acicular crystal.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):160-161℃
5. Boiling point (ºC,Normal pressure): Unsure
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Unsure
8. Flashpoint (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC Oil and water (octanol/Log value of water) partition coefficient: Uncertain
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:Easily soluble in alcohol, benzene, Toluene, slightly soluble in ether and ketone.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 76.49 2. Molar volume (m3/mol):198.7 3. isotonic specific volume (90.2K):537.4 4. Surface Tension (dyne/cm):53.4 5. Polarizability(10-24cm3):30.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 22.1
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 302
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
; mso-fareast-font-family: Arial”>1. Molar refractive index:76.49
2. Molar volume (m3/mol):198.7
3. isotonic specific volume (90.2K):537.4
4. Surface Tension (dyne/cm):53.4
5. Polarizability(10-24cm3):30.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 22.1
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 302
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
The number of stereocenters of definite chemical bonds: 0
14. The number of stereocenters of uncertain chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet