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2-Chloro-3-fluoropyridine-4-carboxylic acid

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Name

2-Chloro-3-fluoropyridine-4-carboxylic acid

EINECS -0
CAS No. 628691-93-0 Density 1.577 g/cm3
PSA 50.19000 LogP 1.57230
Solubility N/A Melting Point 199 °C (dec.)
Formula C6H3ClFNO2 Boiling Point 389.145 °C at 760 mmHg
Molecular Weight 175.547 Flash Point 189.148 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 628691-93-0 (2-CHLORO-3-FLUOROISONICOTINIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Chloro-3-fluoroisonicotinicacid;

Article Data 3

2-Chloro-3-fluoropyridine-4-carboxylic acid Specification

The 2-Chloro-3-fluoropyridine-4-carboxylic acid, with the CAS registry number 628691-93-0, is also known as 4-Pyridinecarboxylic acid, 2-chloro-3-fluoro-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C6H3ClFNO2 and molecular weight is 175.54. What's more, its systematic name is called 2-Chloro-3-fluoroisonicotinic acid. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 2-Chloro-3-fluoropyridine-4-carboxylic acid are: (1)ACD/LogP: 1.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -1.80; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 36.163 cm3; (15)Molar Volume: 111.347 cm3; (16)Polarizability: 14.336×10-24cm3; (17)Surface Tension: 57.445 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 189.148 °C; (20)Enthalpy of Vaporization: 67.338 kJ/mol; (21)Boiling Point: 389.145 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)O)ccnc1Cl
(2) InChI: InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)
(3) InChIKey: NWNWBLRKHOVSEL-UHFFFAOYSA-N

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