6-Bromo-5-nitroisoquinoline supplier

Name
6-BROMO-5-NITRO-ISOQUINOLINE
EINECS
CAS No. 850197-72-7
Article Data2
CAS DataBase
Density 1.747 g/cm³
Solubility
Melting Point
Formula C₉H₅BrN₂O₂
Boiling Point 356.1 °C at 760 mmHg
Molecular Weight 253.055
Flash Point 169.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-5-nitroisoquinoline;
PSA 58.71000
LogP 3.42870

6-Bromo-5-nitroisoquinoline Specification

This chemical is called 6-Bromo-5-nitroisoquinoline, and it can also be named as 6-bromo-5-nitro-isoquinoline. With the molecular formula of C₉H₅BrN₂O₂, its molecular weight is 253.05. The CAS registry number of this chemical is 850197-72-7.

Other characteristics of the 6-Bromo-5-nitroisoquinoline can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rue of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å²; (9)Index of Refraction: 1.707; (10)Molar Refractivity: 56.42 cm³; (11)Molar Volume: 144.7 cm³; (12)Polarizability: 22.36×10^-24 cm³; (13)Surface Tension: 65 dyne/cm; (14)Density: 1.747 g/cm³; (15)Flash Point: 169.2 °C; (16)Enthalpy of Vaporization: 57.77 kJ/mol; (17)Boiling Point: 356.1 °C at 760 mmHg; (18)Vapour Pressure: 6.12E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(c2c1cncc2)[N+](=O)[O-])Br
2.InChI: InChI=1/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H
3.InChIKey: COTVYJVDXKFNRB-UHFFFAOYAJ

Product Name

6-BROMO-5-NITRO-ISOQUINOLINE

6-Bromo-5-nitroisoquinoline Specification

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