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| CAS No.: | 31004-27-0 |
|---|---|
| Name: | 3-chlorofuran-2(5H)-one |
| Molecular Structure: | |
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| Formula: | C4H3ClO2 |
| Molecular Weight: | 118.52 |
| Synonyms: | Crotonicacid, 2-chloro-4-hydroxy-, g-lactone (6CI,7CI); |
| EINECS: | 250-428-9 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 25-27 °C |
| Boiling Point: | 273.2 °C at 760 mmHg |
| Flash Point: | 151.8 °C |
| PSA: | 26.30000 |
| LogP: | 0.66590 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 2(5H)-Furanone, 3-chloro-, and it can also be named as 3-Chlorofuran-2(5H)-one. With the molecular formula of C4H3ClO2, its molecular weight is 118.52. The CAS registry number of this chemical is 31004-27-0.
Other characteristics of the 2(5H)-Furanone, 3-chloro- can be summarised as followings: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.62; (8)ACD/KOC (pH 7.4): 10.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 24.88 cm3; (15)Molar Volume: 84.1 cm3; (16)Polarizability: 9.86×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 51.15 kJ/mol; (21)Boiling Point: 273.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00582 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl/C1=C/COC1=O
2.InChI: InChI=1/C4H3ClO2/c5-3-1-2-7-4(3)6/h1H,2H2
3.InChIKey: GCVGDGFZLSSUIO-UHFFFAOYAE