CAS 96606-37-0

2,4,6-Trifluorobenzonitrile

Description:

2,4,6-Trifluorobenzonitrile is an aromatic compound characterized by the presence of a benzene ring substituted with three fluorine atoms at the 2, 4, and 6 positions, along with a nitrile group (-C≡N) attached to the benzene. This compound is typically a colorless to pale yellow solid at room temperature and is known for its relatively high stability due to the strong C-F bonds. The presence of fluorine atoms enhances its lipophilicity and can influence its reactivity, making it useful in various chemical applications, including as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, the nitrile functional group contributes to its polar nature, which can affect solubility in organic solvents. 2,4,6-Trifluorobenzonitrile is also of interest in materials science and can be involved in various chemical reactions, such as nucleophilic substitutions and coupling reactions. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₁₁H₈F₆O₂

InChI: InChI=1/C11H8F6O2/c1-2-19-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

SMILES: CCOC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Synonyms:

• Ethyl 3,5-Bis(Trifluoromethyl)Benzoate

2,4,6-Trifluorobenzonitrile

CAS: 96606-37-0

Formula: C₇H₂F₃N

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 157.10

Ref: 3B-T1908

2,4,6-Trifluorobenzonitrile

CAS: 96606-37-0

Formula: C₇H₂F₃N

Purity: 95%

Color and Shape: Solid

Molecular weight: 157.0927

Ref: IN-DA003FN0

2,4,6-Trifluorobenzonitrile

CAS: 96606-37-0

Formula: C₇H₂F₃N

Molecular weight: 157.10

Ref: 7W-GK4319

2,4,6-Trifluorobenzonitrile

CAS: 96606-37-0

2,4,6-Trifluorobenzonitrile

Formula: C₇H₂F₃N

Purity: 98%

Color and Shape: off-white solid

Molecular weight: 157.09g/mol

Ref: 54-PC7283R

2,4,6-Trifluorobenzonitrile

CAS: 96606-37-0

Formula: C₇H₂F₃N

Purity: 95%

Color and Shape: Solid

Molecular weight: 157.095

Ref: 10-F007487

2,4,6-Trifluorobenzonitrile-15N

Controlled Product

CAS: 96606-37-0

Applications 2,4,6-Trifluorobenzonitrile-15N is an intermediate in the synthesis of Bictegravir-15N, d2 (B382096), which is the labeled version of Bictegravir, which is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM.
References Tsiang M. et al.: Antimicrob Agents Chemother. 2016 Nov 21;60(12):7086-7097;

Formula: C₇H₂F₃₁₅N

Color and Shape: Neat

Molecular weight: 158.086

Ref: TR-T790027

2,4,6-Trifluorobenzonitrile

Controlled Product

CAS: 96606-37-0

Applications 2,4,6-Trifluorobenzonitrile (cas# 96606-37-0) is a compound useful in organic synthesis.

Formula: C₇H₂F₃N

Color and Shape: Neat

Molecular weight: 157.09

Ref: TR-T790025