CAS No.280566-45-2,2-Chloro-6-trifluoromethylnicotinic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	280566-45-2
Name:	2-Chloro-6-trifluoromethylnicotinic acid
Article Data:	3

Formula:	C₇H₃ClF₃NO₂
Molecular Weight:	225.555
Synonyms:	2-Chloro-6-(trifluoromethyl)nicotinicacid;2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;
EINECS:	631-076-9
Density:	1.603 g/cm³
Melting Point:	120 ºC
Boiling Point:	271.3 ºC at 760 mmHg
Flash Point:	117.9 ºC
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	50.19000
LogP:	2.45200

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Specification

The IUPAC name of 3-Pyridinecarboxylicacid, 2-chloro-6-(trifluoromethyl)- is 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid. With the CAS registry number 280566-45-2, it is also named as 2-Chloro-6-Trifluoromethyl Nicotinic Acid. The product's categories are pharmacetical; carboxylic acids; pyridines; heterocycle; pyridine; carboxylic acids. It is white crystalline powder which is insoluble in water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-Pyridinecarboxylicacid, 2-chloro-6-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 1.52; (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)Index of Refraction: 1.497; (11)Molar Refractivity: 41.149 cm³; (12)Molar Volume: 140.648 cm³; (13)Polarizability: 16.313×10^-24 cm³; (14)Surface Tension: 41.335 dyne/cm; (15)Enthalpy of Vaporization: 53.825 kJ/mol; (16)Vapour Pressure: 0.003 mmHg at 25°C; (17)Rotatable Bond Count 1; (18)Exact Mass 224.980441; (19)MonoIsotopic Mass 224.980441; (20)Topological Polar Surface Area 50.2; (21)Heavy Atom Count 14; (22)Complexity 234.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(nc(c1C(=O)O)Cl)C(F)(F)F
2. InChI:InChI=1/C7H3ClF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)