Benzylideneaniline

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
• 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: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.