Ethyl 2-Bromobenzothiazole-6-carboxylate supplier

Name
2-BROMO-6-ETHOXYCARBONYLBENZOTHIAZOLE
EINECS
CAS No. 99073-88-8
Article Data14
CAS DataBase
Density 1.618 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂S
Boiling Point 377.583 °C at 760 mmHg
Molecular Weight 286.149
Flash Point 182.156 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1,3-benzothiazole-6-carboxylicacid ethyl ester;2-Bromobenzothiazole-6-carboxylic acid ethyl ester;
PSA 67.43000
LogP 3.23550

Ethyl 2-Bromobenzothiazole-6-carboxylate Specification

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

Product Name

2-BROMO-6-ETHOXYCARBONYLBENZOTHIAZOLE

Ethyl 2-Bromobenzothiazole-6-carboxylate Specification

Related Products

Hot Products