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590371-81-6

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Basic Information
CAS No.: 590371-81-6
Name: 2-CHLORO-4-(TRIFLUOROMETHYL)NICOTINIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 590371-81-6 (2-CHLORO-4-(TRIFLUOROMETHYL)NICOTINIC ACID)
Formula: C7H3 Cl F3 N O2
Molecular Weight: 225.555
Synonyms: 2-Chloro-4-(trifluoromethyl)nicotinicacid
Density: 1.604g/cm3
Melting Point: 158-159°C
Boiling Point: 299.501°C at 760 mmHg
Flash Point: 134.934°C
Hazard Symbols: Xn
Risk Codes: R21/22; R36/37/38
PSA: 50.19000
LogP: 2.45200
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Chemistry

Molecular Structure of 2-Chloro-4-(trifluoromethyl)nicotinic acid (CAS No.590371-81-6):

Molecular Formula: C7H3ClF3NO2 
Molecular Weight: 225.5524
CAS No: 590371-81-6
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 50.19 Å2
Index of Refraction: 1.497
Molar Refractivity: 41.149 cm3
Molar Volume: 140.648 cm3
Surface Tension: 41.335 dyne/cm
Density: 1.604 g/cm3
Flash Point: 134.934 °C
Enthalpy of Vaporization: 56.971 kJ/mol
Boiling Point: 299.501 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C
InChI: InChI=1/C7H3ClF3NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey: FZIJHEOXLKCIRZ-UHFFFAOYAZ
Std. InChI: InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
Std. InChIKey: FZIJHEOXLKCIRZ-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 21/22-36/37/38 
R21/22:Harmful in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
HazardClass: IRRITANT

Specification

  2-Chloro-4-(trifluoromethyl)nicotinic acid (CAS No.590371-81-6), its synonyms are 3-Pyridinecarboxylic acid, 2-chloro-4-(trifluoromethyl)- ; 2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid .