CAS No.3796-23-4,3-Trifluoromethylpyridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3796-23-4
Name:	3-Trifluoromethylpyridine
Article Data:	40

Formula:	C₆H₄F₃N
Molecular Weight:	147.1
Synonyms:	3-(Trifluoromethyl)pyridine;
EINECS:	223-268-2
Density:	1.266 g/cm³
Boiling Point:	127.769 °C at 760 mmHg
Flash Point:	31.074 °C
Appearance:	colorless or pale yellow liquid
Hazard Symbols:	T,Xi,F
Risk Codes:	25-36/37/38-11
Safety:	26-45-37-36
Transport Information:	UN 1992 3/PG 3
PSA:	12.89000
LogP:	2.10040

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Specification

3-Trifluoromethylpyridine, with the CAS registry number 3796-23-4, is also named as Pyridine,3-(trifluoromethyl)-. It belongs to the product categories of Pyridine; Heterocyclic Compounds; C6; Heterocyclic Building Blocks; Pyridines. Its EINECS number is 223-268-2. This chemical's molecular formula is C₆H₄F₃N and molecular weight is 147.10. What's more, its systematic name is 3-Trifluoromethylpyridine. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of 3-Trifluoromethylpyridine are: (1)ACD/LogP: 1.699; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.50; (6)ACD/BCF (pH 7.4): 11.52; (7)ACD/KOC (pH 5.5): 199.79; (8)ACD/KOC (pH 7.4): 200.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 29.324 cm³; (15)Molar Volume: 116.168 cm³; (16)Polarizability: 11.625×10^-24cm³; (17)Surface Tension: 24.6 dyne/cm; (18)Density: 1.266 g/cm³; (19)Flash Point: 31.074 °C; (20)Enthalpy of Vaporization: 35.042 kJ/mol; (21)Boiling Point: 127.769 °C at 760 mmHg; (22)Vapour Pressure: 13.3 mmHg at 25°C.

Preparation: this chemical can be prepared by nicotinic acid at the temperature of 170 - 190 °C. This reaction will need reagent MoF₆ with the reaction time of 40 hours. The yield is about 69%.

3-Trifluoromethylpyridine can be prepared by nicotinic acid at the temperature of 170 - 190 °C

Uses of 3-Trifluoromethylpyridine: it can be used to produce 3-trifluoromethyl-N-(trimethylsilylmethyl)pyridinium triflate at the ambient temperature. It will need solvent CH₂Cl₂. The yield is about 99%.

3-Trifluoromethylpyridine can be used to produce 3-trifluoromethyl-N-(trimethylsilylmethyl)pyridinium triflate at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and is irritating to eyes, respiratory system and skin. It is flammable. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cnc1)C(F)(F)F
(2)Std. InChI: InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
(3)Std. InChIKey: JTZSFNHHVULOGJ-UHFFFAOYSA-N