5-Quinolinecarboxylicacid, 8-bromo- supplier

Name
8-Bromo-5-quinolinecaroxylic acid
EINECS
CAS No. 204782-96-7
Article Data3
CAS DataBase
Density 1.732 g/cm³
Solubility
Melting Point
Formula C₁₀H₆BrNO₂
Boiling Point 425.9 °C at 760 mmHg
Molecular Weight 252.067
Flash Point 211.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Bromo-5-quinolinecarboxylicacid;
PSA 50.19000
LogP 2.69550

5-Quinolinecarboxylicacid, 8-bromo- Specification

The CAS registry number of 5-Quinolinecarboxylicacid, 8-bromo- is 204782-96-7. The molecular formula of it is C₁₀H₆BrNO₂ and molecular weight is 252.066. Its systematic name and IUPAC name are the same which is called 8-bromoquinoline-5-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 56.8 cm³; (14)Molar Volume: 145.4 cm³; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.732 g/cm³; (17)Flash Point: 211.4 °C; (18)Enthalpy of Vaporization: 71.75 kJ/mol; (19)Boiling Point: 425.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc(Br)c2ncccc12
(2)InChI: InChI=1/C10H6BrNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
(3)InChIKey: PPJDILQBGRMTFE-UHFFFAOYAK

Product Name

8-Bromo-5-quinolinecaroxylic acid

5-Quinolinecarboxylicacid, 8-bromo- Specification

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