Basic Information | Post buying leads | Suppliers |
Name |
1-Isoquinolinecarboxylic acid, 5-nitro- |
EINECS | N/A |
CAS No. | 75795-40-3 | Density | 1.545 g/cm3 |
PSA | 96.01000 | LogP | 2.36440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H6N2O4 | Boiling Point | 488.2 °C at 760 mmHg |
Molecular Weight | 218.169 | Flash Point | 249 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Nitroisoquinoline-1-carboxylic acid;5-Nitro-1-isoquinoline-carboxylic acid; |
The 1-Isoquinolinecarboxylic acid, 5-nitro-, with the CAS registry number 75795-40-3, is also known as 5-Nitro-1-isoquinoline-carboxylic acid. This chemical's molecular formula is C10H6N2O4 and molecular weight is 218.17. What's more, its systematic name is 5-nitroisoquinoline-1-carboxylic acid.
Physical properties of 1-Isoquinolinecarboxylic acid, 5-nitro- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 85.01 Å2; (7)Index of Refraction: 1.718; (8)Molar Refractivity: 55.66 cm3; (9)Molar Volume: 141.1 cm3; (10)Polarizability: 22.06×10-24cm3; (11)Surface Tension: 80.5 dyne/cm; (12)Density: 1.545 g/cm3; (13)Flash Point: 249 °C; (14)Enthalpy of Vaporization: 79.44 kJ/mol; (15)Boiling Point: 488.2 °C at 760 mmHg; (16)Vapour Pressure: 2.41E-10 mmHg at 25°C.
Preparation of 1-Isoquinolinecarboxylic acid, 5-nitro-: this chemical can be prepared by 5-nitro-isoquinoline-1-carbonitrile at the temperature of 100 °C. This reaction will need reagent conc. hydrochlorid acid with the reaction time of 5 hours. The yield is about 93%.
Uses of 1-Isoquinolinecarboxylic acid, 5-nitro-: it can be used to produce 1-methoxycarbonyl-5-nitroisoquinoline by heating. It will need reagent conc. sulfuric acid with the reaction time of 3 hours. The yield is about 94%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c1ccnc(c1ccc2)C(=O)O
(2)InChI: InChI=1S/C10H6N2O4/c13-10(14)9-7-2-1-3-8(12(15)16)6(7)4-5-11-9/h1-5H,(H,13,14)
(3)InChIKey: GKSMRXCKXZEYGU-UHFFFAOYSA-N