Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Chloro-5-nitronicotinic acid |
EINECS | N/A |
CAS No. | 7477-10-3 | Density | 1.702g/cm3 |
PSA | 96.01000 | LogP | 1.86460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3ClN2O4 | Boiling Point | 401.3 °C at 760 mmHg |
Molecular Weight | 202.554 | Flash Point | 196.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Nicotinicacid, 6-chloro-5-nitro- (8CI);NSC 404695; |
Article Data | 8 |
The 6-Chloro-5-nitronicotinic acid, with cas registry number 7477-10-3, belongs to the following product categories: (1)blocks; (2)Carboxes; (3)Pyridines. It has the systematic name of 6-chloro-5-nitropyridine-3-carboxylic acid. And its IUPAC name is the same one.
Physical properties about this chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 85.01 Å2; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 42.71 cm3; (13)Molar Volume: 118.9 cm3; (14)Polarizability: 16.93×10-24cm3; (15)Surface Tension: 79.1 dyne/cm; (16)Enthalpy of Vaporization: 68.79 kJ/mol; (17)Vapour Pressure: 3.67E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cnc1Cl)C(=O)O
(2)InChI: InChI=1/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
(3)InChIKey: HCRHNMXCDNACMH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
(5)Std. InChIKey: HCRHNMXCDNACMH-UHFFFAOYSA-N