5-Quinolinecarboxylicacid, 8-bromo-, methyl ester supplier

Name
methyl-8-bromoquinoline-5-carboxylate
EINECS
CAS No. 253787-45-0
Density 1.557 g/cm³
Solubility
Melting Point
Formula C₁₁H₈BrNO₂
Boiling Point 383.164 °C at 760 mmHg
Molecular Weight 266.093
Flash Point 185.531 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl8-bromoquinoline-5-carboxylate;
PSA 39.19000
LogP 2.78390

5-Quinolinecarboxylicacid, 8-bromo-, methyl ester Specification

The CAS registry number of 5-Quinolinecarboxylicacid, 8-bromo-, methyl ester is 253787-45-0. The molecular formula of it is C₁₁H₈BrNO₂ and molecular weight is 266.093. Its systematic name and IUPAC name are the same which is called methyl 8-bromoquinoline-5-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.718; (4)ACD/LogD (pH 7.4): 2.718; (5)ACD/BCF (pH 5.5): 68.478; (6)ACD/BCF (pH 7.4): 68.481; (7)ACD/KOC (pH 5.5): 716.955; (8)ACD/KOC (pH 7.4): 716.991; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 61.65 cm³; (14)Molar Volume: 170.851 cm³; (15)Surface Tension: 52.823 dyne/cm; (16)Density: 1.557 g/cm³; (17)Flash Point: 185.531 °C; (18)Enthalpy of Vaporization: 63.167 kJ/mol; (19)Boiling Point: 383.164 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc(c2c1cccn2)Br
(2)InChI: InChI=1/C11H8BrNO2/c1-15-11(14)8-4-5-9(12)10-7(8)3-2-6-13-10/h2-6H,1H3
(3)InChIKey: CSGDGTYOZTXOBR-UHFFFAOYAG

Product Name

methyl-8-bromoquinoline-5-carboxylate

5-Quinolinecarboxylicacid, 8-bromo-, methyl ester Specification

Related Products

Hot Products