Basic Information | Post buying leads | Suppliers |
Name |
Ethyl-2-chlorooxazole-4-carboxylate |
EINECS | N/A |
CAS No. | 4600081-18-9 | Density | 1.72 g/cm3 |
PSA | 52.33000 | LogP | 2.26720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BrClNO3 | Boiling Point | 306.485 °C at 760 mmHg |
Molecular Weight | 254.4658 | Flash Point | 139.157 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 2-bromo-5-chlorooxazole-4-carboxylate; |
The Ethyl-2-chlorooxazole-4-carboxylate, with the CAS registry number 4600081-18-9, is also known as Ethyl 2-bromo-5-chlorooxazole-4-carboxylate. This chemical's molecular formula is C6H5BrClNO3 and molecular weight is 254.4658. What's more, its systematic name is Ethyl 5-bromo-2-chloro-oxazole-4-carboxylate.
Physical properties about Ethyl-2-chlorooxazole-4-carboxylate are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.562; (4)ACD/LogD (pH 7.4): 2.562; (5)ACD/BCF (pH 5.5): 52.104; (6)ACD/BCF (pH 7.4): 52.104; (7)ACD/KOC (pH 5.5): 589.587; (8)ACD/KOC (pH 7.4): 589.587; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 45.635 cm3; (15)Molar Volume: 147.987 cm3; (16)Polarizability: 18.091×10-24 cm3; (17)Surface Tension: 46.478 dyne/cm; (18)Density: 1.72 g/cm3; (19)Flash Point: 139.157 °C; (20)Enthalpy of Vaporization: 54.701 kJ/mol; (21)Boiling Point: 306.485 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1c(oc(n1)Cl)Br
(2) InChI: InChI=1/C6H5BrClNO3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
(3) InChIKey: DEYVIYMVORUNKU-UHFFFAOYAW