6-Bromoisoquinolin-3-amine supplier

Name
6-Bromoisoquinolin-3-amine
EINECS
CAS No. 891785-28-7
Article Data8
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 387.6 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 188.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Bromoisoquinolin-3-amine;
PSA 38.91000
LogP 3.16070

6-Bromoisoquinolin-3-amine Specification

The 6-Bromoisoquinolin-3-amine, with CAS registry number 891785-28-7, belongs to the following product categories: (1)Chiral Chemicals; (2)Building Blocks; (3)Isoquinoline. It has the systematic name of 6-bromoisoquinolin-3-amine. And the chemical formula of this chemical is C₉H₇BrN₂.

Physical properties of 6-Bromoisoquinolin-3-amine: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.62; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 38.91 Å²; (9)Index of Refraction: 1.732; (10)Molar Refractivity: 54.11 cm³; (11)Molar Volume: 135.2 cm³; (12)Polarizability: 21.45×10^-24cm³; (13)Surface Tension: 63.3 dyne/cm; (14)Enthalpy of Vaporization: 63.67 kJ/mol; (15)Vapour Pressure: 3.26E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnc(cc2cc1Br)N
(2)InChI: InChI=1/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
(3)InChIKey: PQKLBIXLXFRNKT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
(5)Std. InChIKey: PQKLBIXLXFRNKT-UHFFFAOYSA-N

Product Name

6-Bromoisoquinolin-3-amine

6-Bromoisoquinolin-3-amine Specification

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