4-Morpholinecarboxaldehyde (4394-85-8)

The IUPAC name of 4-Formylmorpholine is morpholine-4-carbaldehyde. With the CAS registry number 4394-85-8, it is also named as 4-Morpholinecarbaldehyde. The classification codes are Skin / Eye Irritant; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is clear yellow liquid which is soluble in alcohol and ether. In addition, this chemical is stable under normal temperature and pressure. Moreover, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.67; (8)ACD/KOC (pH 7.4): 4.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 30.22 cm³; (14)Molar Volume: 95.1 cm³; (15)Polarizability: 11.98×10^-24 cm³; (16)Surface Tension: 52.5 dyne/cm; (17)Enthalpy of Vaporization: 47.33 kJ/mol; (18)Vapour Pressure: 0.0472 mmHg at 25°C; (19)Exact Mass: 115.063329; (20)MonoIsotopic Mass: 115.063329; (21)Topological Polar Surface Area: 29.5; (22)Heavy Atom Count: 8; (23)Complexity: 78.5.

Preparation of 4-Formylmorpholine: It can be obtained by morpholine and formaldehyde. This reaction needs reagent KI and solvent water at ambient temperature. The yield is 83%.

Uses of 4-Formylmorpholine: It is used in the desulfurization of natural gas, synthetic gas, flue gas and gasoline. And it is the most widely used aromatic recovery solvent. Additionally, this chemical can react with benzothiazol-2-ylamine to get benzothiazol-2-yl-morpholin-4-ylmethylene-amine. This reaction needs reagent benzenesulfonyl chloride and solvent pyridine. The yield is 97 %. 

   

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. so people should not breathe vapour and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:O=CN1CCOCC1
2. InChI:InChI=1/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
3. InChIKey:LCEDQNDDFOCWGG-UHFFFAOYAJ

The following are the toxicity data which has been tested.

The IUPAC name of 4-Formylmorpholine is morpholine-4-carbaldehyde. With the CAS registry number 4394-85-8, it is also named as 4-Morpholinecarbaldehyde. The classification codes are Skin / Eye Irritant; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is clear yellow liquid which is soluble in alcohol and ether. In addition, this chemical is stable under normal temperature and pressure. Moreover, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.67; (8)ACD/KOC (pH 7.4): 4.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 30.22 cm³; (14)Molar Volume: 95.1 cm³; (15)Polarizability: 11.98×10^-24 cm³; (16)Surface Tension: 52.5 dyne/cm; (17)Enthalpy of Vaporization: 47.33 kJ/mol; (18)Vapour Pressure: 0.0472 mmHg at 25°C; (19)Exact Mass: 115.063329; (20)MonoIsotopic Mass: 115.063329; (21)Topological Polar Surface Area: 29.5; (22)Heavy Atom Count: 8; (23)Complexity: 78.5.

Preparation of 4-Formylmorpholine: It can be obtained by morpholine and formaldehyde. This reaction needs reagent KI and solvent water at ambient temperature. The yield is 83%.

Uses of 4-Formylmorpholine: It is used in the desulfurization of natural gas, synthetic gas, flue gas and gasoline. And it is the most widely used aromatic recovery solvent. Additionally, this chemical can react with benzothiazol-2-ylamine to get benzothiazol-2-yl-morpholin-4-ylmethylene-amine. This reaction needs reagent benzenesulfonyl chloride and solvent pyridine. The yield is 97 %. 

   

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. so people should not breathe vapour and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:O=CN1CCOCC1
2. InChI:InChI=1/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
3. InChIKey:LCEDQNDDFOCWGG-UHFFFAOYAJ

The following are the toxicity data which has been tested.