Name: 2-(TRIFLUOROMETHYL)NICOTINALDEHYDE
SKU: 116308-35-1

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Basic Information

CAS No.:

116308-35-1

Name:

2-(TRIFLUOROMETHYL)NICOTINALDEHYDE

Article Data:

Molecular Structure:

Formula:

C₇H₄ F₃ N O

Molecular Weight:

175.11

Synonyms:

2-Trifluoromethylpyridine-3-carboxaldehyde;2-(Trifluoromethyl)nicotinaldehyde;2-Trifluoromethyl-pyridine-3-carbaldehyde;

Density:

1.369g/cm³

Boiling Point:

207.9 °C at 760 mmHg

Flash Point:

79.5 °C

Hazard Symbols:

Risk Codes:

T:;
">

T:;

Safety:

Hazard Codes

PSA:

29.96000

LogP:

1.91290

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Specification

The 2-(Trifluoromethyl)pyridine-3-carboxaldehyde with cas registry number of 116308-35-1, is also called 2-Trifluoromethylpyridine-3-carboxaldehyde ; 2-(Trifluoromethyl)nicotinaldehyde .The 2-(Trifluoromethyl)pyridine-3-carboxaldehyde belongs to the following product categorie: pharmacetical.

Physical properties of 2-(Trifluoromethyl)pyridine-3-carboxaldehyde :(1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.54; (6)ACD/BCF (pH 7.4): 17.54; (7)ACD/KOC (pH 5.5): 270.45; (8)ACD/KOC (pH 7.4): 270.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 36.07 cm³; (15)Molar Volume: 127.8 cm³; (16)Polarizability: 14.3×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Enthalpy of Vaporization: 44.41 kJ/mol; (19)Vapour Pressure: 0.22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1ncccc1C=O
(2)InChI:InChI=1/C7H4F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h1-4H
(3)InChIKey:COMFXXABDQGVSV-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C7H4F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h1-4H
(5)Std. InChIKey:COMFXXABDQGVSV-UHFFFAOYSA-N .