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| CAS No.: | 28562-58-5 |
|---|---|
| Name: | 4-BENZOYLOXY-2-AZETIDINONE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H9NO3 |
| Molecular Weight: | 191.186 |
| Synonyms: | 2-Azetidinone,4-hydroxy-, benzoate (ester) (8CI);4-(Benzoyloxy)-2-azetidinone; |
| Density: | 1.3 g/cm3 |
| Melting Point: | 100 °C |
| Boiling Point: | 401.2 °C at 760 mmHg |
| Flash Point: | 196.5 °C |
| Appearance: | white to yellow crystalline powder |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 55.40000 |
| LogP: | 1.01820 |
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Specification
This chemical is called 2-Azetidinone, 4-(benzoyloxy)-, and its systematic name is 4-oxoazetidin-2-yl benzoate. With the molecular formula of C10H9NO3, its molecular weight is 191.18. The CAS registry number of this chemical is 28562-58-5. Additionally, its product categories are Azetidines; Simple 4-Membered Ring Compounds.
Other characteristics of the 2-Azetidinone, 4-(benzoyloxy)- can be summarised as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.96; (8)ACD/KOC (pH 7.4): 23.96; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 48.83 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 19.35×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 196.5 °C; (20)Enthalpy of Vaporization: 65.22 kJ/mol; (21)Boiling Point: 401.2 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-06 mmHg at 25°C.
Uses of this chemical: The 2-Azetidinone, 4-(benzoyloxy)- could react with prop-2-en-1-ol, and obtain the 4-(2-propenyloxy)-2-azetidinone. This reaction needs the reagent of zinc acetate dihydrate, and the solvent of benzene. The yield is 86 %. The other condition is heating.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C2NC(OC(=O)c1ccccc1)C2
2.InChI: InChI=1/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)
3.InChIKey: HJJGOOONOIFDRH-UHFFFAOYAB