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Methyl aziridine-2-carboxylate

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Name

Methyl aziridine-2-carboxylate

EINECS N/A
CAS No. 5950-34-5 Density 1.163g/cm3
PSA 48.24000 LogP -0.54000
Solubility N/A Melting Point N/A
Formula C4H7NO2 Boiling Point 117.9 °C at 760 mmHg
Molecular Weight 101.105 Flash Point 25.1 °C
Transport Information N/A Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 5950-34-5 (AZIRIDINE-2-CARBOXYLIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

2-Carbomethoxyaziridine;Methyl 2-aziridinecarboxylate;

Article Data 7

Methyl aziridine-2-carboxylate 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%.

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%.

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

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