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Name |
2(5H)-Furanone,3-chloro-4-methyl- |
EINECS | N/A |
CAS No. | 134705-35-4 | Density | 1.31 g/cm3 |
PSA | 26.30000 | LogP | 1.05600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5ClO2 | Boiling Point | 267.2 °C at 760 mmHg |
Molecular Weight | 132.55 | Flash Point | 142.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-chloro-4-methyl-5H-furan-2-one |
This chemical is called 2(5H)-Furanone,3-chloro-4-methyl-, and its IUPAC name is 4-chloro-3-methyl-2H-furan-5-one. With the molecular formula of C5H5ClO2, its molecular weight is 132.55. The CAS registry number of this chemical is 134705-35-4.
Other characteristics of the 2(5H)-Furanone,3-chloro-4-methyl- can be summarised as followings: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.25; (8)ACD/KOC (pH 7.4): 22.25; (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: 1.493; (14)Molar Refractivity: 29.29 cm3; (15)Molar Volume: 100.6 cm3; (16)Polarizability: 11.61×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 142.5 °C; (20)Enthalpy of Vaporization: 50.52 kJ/mol; (21)Boiling Point: 267.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00827 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl\C1=C(/C)COC1=O
2.InChI: InChI=1/C5H5ClO2/c1-3-2-8-5(7)4(3)6/h2H2,1H3
3.InChIKey: RZQNZDURDLIZRR-UHFFFAOYAC