Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-5-methylnicotinic acid |
EINECS | N/A |
CAS No. | 66909-30-6 | Density | 1.39 g/cm3 |
PSA | 50.19000 | LogP | 1.74160 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6ClNO2 | Boiling Point | 331.175 °C at 760 mmHg |
Molecular Weight | 171.583 | Flash Point | 154.089 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Chloro-5-methyl-3-pyridinecarboxylicacid;2-Chloro-5-methylnicotinic acid; |
Article Data | 8 |
The CAS register number of 3-Pyridinecarboxylicacid, 2-chloro-5-methyl- is 66909-30-6. It also can be called as 2-Chloro-5-methylnicotinic acid and the systematic name about this chemical is 2-chloro-5-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H6ClNO2 and the molecular weight is 171.58. It belongs to the following product categorie which include pharmacetical.
Physical properties about 3-Pyridinecarboxylicacid, 2-chloro-5-methyl- are: (1)ACD/LogP: 1.17; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.19 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 40.994 cm3; (12)Molar Volume: 123.413 cm3; (13)Polarizability: 16.251x10-24cm3; (14)Surface Tension: 55.642 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 154.089 °C; (17)Enthalpy of Vaporization: 60.57 kJ/mol; (18)Boiling Point: 331.175 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(C)cnc1Cl
(2)InChI: InChI=1/C7H6ClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3H,1H3,(H,10,11)
(3)InChIKey: HGTOSTXLRLIKCJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: HGTOSTXLRLIKCJ-UHFFFAOYSA-N