6-Bromocinnoline supplier | CasNO.318276-72-1

Name
6-bromocinnoline
EINECS
CAS No. 318276-72-1
Article Data9
CAS DataBase
Density 1.656 g/cm³
Solubility
Melting Point 129-130 °C
Formula C₈H₅BrN₂
Boiling Point 325 °C at 760 mmHg
Molecular Weight 209.045
Flash Point 150.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromocinnoline;
PSA 25.78000
LogP 2.39230

6-Bromocinnoline Specification

The 6-Bromocinnoline, with the CAS registry number 318276-72-1, is also called cinnoline, 6-bromo-. It belongs to the product category of Cinnoline Derivertives. The molecular formula of the chemical is C₈H₅BrN₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.57; (6)ACD/BCF (pH 7.4): 11.57; (7)ACD/KOC (pH 5.5): 200.75; (8)ACD/KOC (pH 7.4): 200.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 47.96 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 19.01×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.656 g/cm³; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 54.45 kJ/mol; (21)Boiling Point: 325 °C at 760 mmHg; (22)Vapour Pressure: 0.00045 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2cc1ccnnc1cc2
(2)InChI: InChI=1/C8H5BrN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H
(3)InChIKey: NUILLMMTUCMJNA-UHFFFAOYAD

Product Name

6-bromocinnoline

6-Bromocinnoline Specification

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