4-Amino-3-nitroquinoline supplier

Name
4-Amino-3-nitroquinoline
EINECS
CAS No. 42606-33-7
Article Data15
CAS DataBase
Density 1.445 g/cm³
Solubility
Melting Point 261-262ºC
Formula C₉H₇N₃O₂
Boiling Point 405.3 °C at 760 mmHg
Molecular Weight 189.17
Flash Point 198.9 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Quinoline,4-amino-3-nitro- (5CI);3-Nitro-4-aminoquinoline;4-Amino-3-nitroquinoline;NSC131346;
PSA 84.73000
LogP 2.82960

4-Amino-3-nitroquinoline Specification

The 4-Amino-3-nitroquinoline, with the CAS registry number 42606-33-7, is also known as 4-Amino-3-nitroquinoline. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₉H₇N₃O₂ and molecular weight is 189.17. What's more, its systematic name is 3-nitroquinolin-4-amine.

Physical properties of 4-Amino-3-nitroquinoline are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 44.35; (6)ACD/BCF (pH 7.4): 63.71; (7)ACD/KOC (pH 5.5): 473.2; (8)ACD/KOC (pH 7.4): 679.78; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.95 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 52.96 cm³; (15)Molar Volume: 130.8 cm³; (16)Polarizability: 20.99×10^-24cm³; (17)Surface Tension: 76 dyne/cm; (18)Density: 1.445 g/cm³; (19)Flash Point: 198.9 °C; (20)Enthalpy of Vaporization: 65.68 kJ/mol; (21)Boiling Point: 405.3 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-3-nitro-quinoline. This reaction will need reagent NH₃(gas) and solvents toluene, propan-2-ol. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])N
(2)InChI: InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11)
(3)InChIKey: SKPRPEJLFKCOAB-UHFFFAOYSA-N

Product Name

4-Amino-3-nitroquinoline

4-Amino-3-nitroquinoline Specification

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