Structural formula
| Business number | 05JA |
|---|---|
| Molecular formula | C13H11N1 |
| Molecular weight | 181.23 |
| label |
N-benzylideneaniline, Benzaldehyde anilide, Benzylaniline, N-benzyl aniline, Benzylidene-phenyl-amine, N-(Phenylmethylene)benzenamine, N-Benzalaniline, N-Benzylidenaniline |
Numbering system
CAS number:538-51-2
MDL number:MFCD00003027
EINECS number:208-694-9
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character: Colorless flake or yellow needle crystals.
2. Density (g/mL,25/4℃): 1.045
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):56
5. Boiling point (ºC,Normal pressure):300
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Soluble in ethanol, chloroform, acetic anhydride and carbon disulfide ,Insoluble in water.
Toxicological data
None yet
Ecological data
versus water Is slightly hazardous, do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems; do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 60.41
2. Molar volume (m3/mol):189.5
3. isotonic specific volume (90.2K):466.4
4. Surface Tension (dyne/cm):36.7
5. Polarizability（10-24cm3):23.94
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: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 12.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 174
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
As required It will not decompose or react when stored, keep away from oxides.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Organic synthesis.
style=”FONT-FAMILY: Arial; FONT-SIZE: 9pt” lang=EN-US>466.4
4. Surface Tension (dyne/cm):36.7
5. Polarizability（10-24cm3):23.94
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: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 12.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 174
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
As required It will not decompose or react when stored, keep away from oxides.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
Organic synthesis.
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