Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-Bromobenzothiazole-6-carboxylate |
EINECS | N/A |
CAS No. | 99073-88-8 | Density | 1.618 g/cm3 |
PSA | 67.43000 | LogP | 3.23550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8BrNO2S | Boiling Point | 377.583 °C at 760 mmHg |
Molecular Weight | 286.149 | Flash Point | 182.156 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-1,3-benzothiazole-6-carboxylicacid ethyl ester;2-Bromobenzothiazole-6-carboxylic acid ethyl ester; |
Article Data | 14 |
The Ethyl 2-Bromobenzothiazole-6-carboxylate, with the CAS registry number 99073-88-8, is also known as 2-Bromobenzothiazole-6-carboxylic acid ethyl ester. This chemical's molecular formula is C10H8BrNO2S and molecular weight is 286.14. What's more, its systematic name is Ethyl 2-bromo-1,3-benzothiazole-6-carboxylate.
Physical properties of Ethyl 2-Bromobenzothiazole-6-carboxylate are: (1)ACD/LogP: 3.547; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD; (pH 5.5): 3.55; (4)ACD/LogD; (pH 7.4): 3.55; (5)ACD/BCF; (pH 5.5): 292.47; (6)ACD/BCF; (pH 7.4): 292.47; (7)ACD/KOC; (pH 5.5): 2026.88; (8)ACD/KOC; (pH 7.4): 2026.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 64.667 cm3; (15)Molar Volume: 176.837 cm3; (16)Polarizability: 25.636×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.618 g/cm3; (19)Flash Point: 182.156 °C; (20)Enthalpy of Vaporization: 62.537 kJ/mol; (21)Boiling Point: 377.583 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc2nc(Br)sc2c1
(2)Std. InChI: InChI=1S/C10H8BrNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3
(3)Std. InChIKey: JQZQKEZCRZNJPC-UHFFFAOYSA-N