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4-Methyl-6-chloronicotinic acid

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Name

4-Methyl-6-chloronicotinic acid

EINECS N/A
CAS No. 503555-50-8 Density 1.39 g/cm3
PSA 50.19000 LogP 1.74160
Solubility N/A Melting Point N/A
Formula C7H6ClNO2 Boiling Point 344.762 °C at 760 mmHg
Molecular Weight 171.581 Flash Point 162.307 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 503555-50-8 (4-Methyl-6-chloronicotinic acid) Hazard Symbols N/A
Synonyms

6-Chloro-4-methylnicotinic acid;6-Chloro-4-methylpyridine-3-carboxylic acid;

 

4-Methyl-6-chloronicotinic acid Specification

The CAS register number of 4-Methyl-6-chloronicotinic acid is 503555-50-8. It also can be called as 6-Chloro-4-methylnicotinic acid and the systematic name about this chemical is 6-chloro-4-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H6ClNO2 and the molecular weight is 171.581.

Physical properties about 4-Methyl-6-chloronicotinic acid are: (1)ACD/LogP: 1.76; (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: 162.307 °C; (17)Enthalpy of Vaporization: 62.136 kJ/mol; (18)Boiling Point: 344.762 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Cl)ncc1C(O)=O
(2)InChI: InChI=1/C7H6ClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: ZCLFIXIHOWGYDY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6ClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: ZCLFIXIHOWGYDY-UHFFFAOYSA-N

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