Formanilide Formanilide

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:103-70-8

MDL number:MFCD00003276

EINECS number:203-136-0

RTECS number:BY1780000

BRN number:906934

PubChem number:24871333

Physical property data

1. Properties: Monoclinic prism crystal

2. Density (g/mL, 20℃): 1.112

3. Relative vapor density (g/mL, air = 1): Undetermined

4. Melting point (ºC): 50

5. Boiling point (ºC, normal pressure): 271

6. Boiling point (ºC) , 16kpa): 216

7. Refractive index: not determined

8. Flash point (ºC): not determined

9. Specific rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in ethanol, Soluble in ether.

Toxicological data

Acute toxicity: Dog oral LDLo: 400mg/kg; Dog intravenous LDLo: 400mg/kg; Amphibians-frog oral LDLo: 800μg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 36.04

2. Molar volume (cm³/mol): 106.2

3. Isotonic specific volume (90.2K ): 275.0

4. Surface tension (dyne/cm): 44.9

5. Dielectric constant:

6. ���Polar distance (10^-24cm³):

7. Polarizability: 14.29

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 86.9

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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging must be sealed and must not come into contact with air. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from the reaction of aniline and formic acid. Add 2.8kg aniline, 2kg toluene, and 3L formic acid into a flask equipped with a fractionating column, heat and dehydrate for half an hour, and after the reaction, toluene is distilled and recovered to 110°C. Cool, filter out the crystals, and distill under reduced pressure to obtain formanilide.

Purpose

Used in organic synthesis.