4-Phenylmorpholine 4-Phenylmorpholine

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:92-53-5

MDL number:MFCD00006166

EINECS number:202-164-0

RTECS number:QE8575000

BRN number:None

PubChem number:24852668

Physical property data

1. Properties: Colorless crystals.

2. Density (g/mL, 57/20℃): 1.06

3. Relative vapor density (g/mL, air=1): 5.63

4. Melting point (ºC): 57

5. Boiling point (ºC, normal pressure): 268

6. Boiling point (ºC, 5.999kPa): 165~170

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7. Flash point (ºC, open): 104

8. Vapor pressure (kPa, 20ºC): <0.013

9. Solubility: soluble in ethanol , diethyl ether, insoluble in water.

Toxicological data

The oral LD50 in rats is 930 mg/kg.

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.06

2. Molar volume (cm³/mol): 152.7

3. Isotonic specific volume (90.2K ): 381.0

4. Surface tension (dyne/cm): 38.7

5. Polarizability (10^-24cm³): 19.05

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: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 12.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 126

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

N-Phenylmorpholine is a fairly stable compound and does not easily catch fire. Chemical properties pKa 3.20 (25°C, water). Condensation with benzaldehyde produces a colorless matrix, which is rearranged to obtain malachite green dye. Due to the presence of morpholino group, the ortho-para position of the benzene ring is activated and reacts with nitric acidObtain ortho and para nitro compounds. It is relatively stable to oxidation and only generates a small amount of formaldehyde when oxidized with dichromic acid.

Storage method

This product should be kept sealed.

Synthesis method

Prepared by the action of N, N-bis-β-hydroxyethylaniline and sulfuric acid.

Purification method: Use water for recrystallization and purification.

Purpose

The compound has properties similar to N, N-dimethylaniline and is basic. It can be used as a reagent for dehydrobromination of allyl bromide compounds and has the advantage that the product is easier to purify. Used as anti-corrosion additives, intermediates for dyes and insecticides, and catalysts in the decomposition of peroxides.