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| CAS No.: | 5950-34-5 |
|---|---|
| Name: | AZIRIDINE-2-CARBOXYLIC ACID METHYL ESTER |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C4H7NO2 |
| Molecular Weight: | 101.105 |
| Synonyms: | 2-Carbomethoxyaziridine;Methyl 2-aziridinecarboxylate; |
| Density: | 1.163g/cm3 |
| Boiling Point: | 117.9 °C at 760 mmHg |
| Flash Point: | 25.1 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 48.24000 |
| LogP: | -0.54000 |
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Specification
The Methyl aziridine-2-carboxylate with cas registry number of 5950-34-5, belongs to the following product categories: (1)Aziridines; (2)Simple 3-Membered Ring Compounds. It has the systematic name of methyl aziridine-2-carboxylate. This chemical should store in the refrigerator.
Physical properties about this chemical are: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 9.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.31 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 23.52 cm3; (15)Molar Volume: 86.8 cm3; (16)Polarizability: 9.32×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 35.62 kJ/mol; (19)Vapour Pressure: 17.1 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,3-dibromo-propionic acid methyl ester. This reaction will need reagent NH3 gas and solvent acetonitrile. The reaction time is 3 hour(s) with reaction temperature of -20 ℃. The yield is about 45%.
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Uses of Methyl aziridine-2-carboxylate: it can be used to produce 1-(2-tetrahydrofuryl)-2-methoxycarbonylaziridine. This reaction will need reagent triethylamine and solvent diethyl ether. The yield is about 72%.
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When you are using this chemical, please be cautious about it as the following:
The Methyl aziridine-2-carboxylate is flammable, please keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1NC1;
(2)InChI: InChI=1/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3;
(3)InChIKey: ZWCVDRJTYFIPIV-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3;
(5)Std. InChIKey: ZWCVDRJTYFIPIV-UHFFFAOYSA-N