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2-Chloro-5-methylnicotinic acid

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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 Molecular Structure of 66909-30-6 (2-Chloro-5-methylpyridine-3-carboxylic acid) Hazard Symbols Xn
Synonyms

2-Chloro-5-methyl-3-pyridinecarboxylicacid;2-Chloro-5-methylnicotinic acid;

Article Data 8

2-Chloro-5-methylnicotinic acid Specification

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

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