3(2H)-Isoquinolinone,6-bromo- supplier

Name
3(2H)-Isoquinolinone, 6-bromo-
EINECS
CAS No. 1031927-91-9
Density 1.7 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO
Boiling Point 462.4 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 233.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromoisoquinolin-3-ol;6-Bromo-3-hydroxyisoquinoline;6-Bromo-2H-isoquinolin-3-one;
PSA 32.86000
LogP 2.29060

3(2H)-Isoquinolinone,6-bromo- Specification

The CAS register number of 3(2H)-Isoquinolinone,6-bromo- is 1031927-91-9. It also can be called as 6-Bromo-3-hydroxyisoquinoline and the systematic name about this chemical is 6-bromoisoquinolin-3(2H)-one. The molecular formula about this chemical is C₉H₆BrNO and the molecular weight is 224.05674. It belongs to the following product category which includes API intermediates.

Physical properties about 3(2H)-Isoquinolinone,6-bromo- are: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): 0.41; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 29.1 Å²; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 50.08 cm³; (9)Molar Volume: 131.2 cm³; (10)Polarizability: 19.85x10^-24cm³; (11)Surface Tension: 54.7 dyne/cm; (12)Density: 1.7 g/cm³; (13)Flash Point: 233.5 °C; (14)Enthalpy of Vaporization: 72.35 kJ/mol; (15)Boiling Point: 462.4 °C at 760 mmHg; (16)Vapour Pressure: 9.86E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c[nH]c(=O)cc2cc1Br
(2)InChI: InChI=1/C9H6BrNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
(3)InChIKey: MZXOHGOCNRWAPY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H6BrNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
(5)Std. InChIKey: MZXOHGOCNRWAPY-UHFFFAOYSA-N

Product Name

3(2H)-Isoquinolinone, 6-bromo-

3(2H)-Isoquinolinone,6-bromo- Specification

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