structural formula

business number	024u
molecular formula	c10h13no
molecular weight	163.22
label	n-phenylmorpholine, 4-phenylmorpholine, (4-morpholinyl)benzene, n-phenylmorpholine, anti-corrosion additives, catalyst, multifunctional solvent

• 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

p>

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 930mg/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 from 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.

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