Name: 3,5-DICHLOROISONICOTINIC ACID
SKU: 13958-93-5

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Basic Information

Molecular Structure:
CAS No.:	13958-93-5
Name:	3,5-DICHLOROISONICOTINIC ACID

Formula:	C₆H₃Cl₂NO₂
Molecular Weight:	192.001
Synonyms:	Isonicotinicacid, 3,5-dichloro- (7CI,8CI);3,5-Dichloro-4-pyridinecarboxylic acid;
Density:	1.612 g/cm³
Melting Point:	230 °C (dec.)(lit.)
Boiling Point:	383.003 °C at 760 mmHg
Flash Point:	185.434 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	50.19000
LogP:	2.08660

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Specification

This chemical is called 4-Pyridinecarboxylic acid, 3,5-dichloro-, and its systematic name is 3,5-dichloropyridine-4-carboxylic acid. With the molecular formula of C₆H₃Cl₂NO₂, its molecular weight is 192. The CAS registry number of this chemical is 13958-93-5. Additionally, its product categories are Chloropyridines; Halopyridines.

Other characteristics of the 4-Pyridinecarboxylic acid, 3,5-dichloro- can be summarised as followings: (1)ACD/LogP: 0.77; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 41.064 cm³; (13)Molar Volume: 119.088 cm³; (14)Polarizability: 16.279×10^-24cm³; (15)Surface Tension: 62.834 dyne/cm; (16)Density: 1.612 g/cm³; (17)Flash Point: 185.434 °C; (18)Enthalpy of Vaporization: 66.61 kJ/mol; (19)Boiling Point: 383.003 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: The 3,5-dichloro-1-oxy-isonicotinic acid could be obtained by the reactant of 4-Pyridinecarboxylic acid, 3,5-dichloro-. This reaction needs the reagent of m-CPBA, HF, and the solvent of dimethylformamide, methanol. The yield is 38 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(c(cn1)Cl)C(=O)O)Cl
2.InChI: InChI=1/C6H3Cl2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
3.InChIKey: BUQPTOSHKHYHHB-UHFFFAOYAV