CAS No.4542-47-6,3-(4-MORPHOLINO)PROPIONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4542-47-6
Name:	3-(4-MORPHOLINO)PROPIONITRILE
Article Data:	91

Formula:	C₇H₁₂N₂O
Molecular Weight:	140.185
Synonyms:	4-Morpholinepropionitrile(6CI,7CI,8CI);3-Morpholinopropanenitrile;3-Morpholinopropionitrile;N-(2-Cyanoethyl)morpholine;
EINECS:	224-894-9
Density:	1.03 g/cm³
Melting Point:	20-21 °C
Boiling Point:	293.5 °C at 760 mmHg
Flash Point:	113.1 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 3276
PSA:	36.26000
LogP:	0.17018

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Specification

The 4-Morpholinepropanenitrile, with the CAS registry number of 4542-47-6, is also known as N-(2-Cyanoethyl)morpholine. Its EINECS registry number is 224-894-9. This chemical's molecular formula is C₇H₁₂N₂O and molecular weight is 140.18. What's more, its IUPAC name is 3-Morpholin-4-ylpropanenitrile. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about 4-Morpholinepropanenitrile are: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 9.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.26 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 37.49 cm³; (15)Molar Volume: 136 cm³; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.03 g/cm³; (18)Flash Point: 113.1 °C; (19)Enthalpy of Vaporization: 53.31 kJ/mol; (20)Boiling Point: 293.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00172 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Morpholine with Acrylonitrile. The reaction needs solvent Methanol. The yield is about 100 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Morpholin-4-yl-propionamide; hydrochloride. This reaction needs reagents TMSCl and H₂O. The reaction temperature is 0-25 °C. The yield is about 90 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCN1CCOCC1
(2) InChI: InChI=1/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2
(3) InChIKey: WXVKGHVDWWXBJX-UHFFFAOYAC