Catalog No.:AA003IBW

134227-45-5 | 3,4,5-Trifluorobenzonitrile

Name: Name:3,4,5-Trifluorobenzonitrile
Brand: AABLOCKS
SKU: AA003IBW
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA003IBW

Chemical Name:

3,4,5-Trifluorobenzonitrile

CAS Number:

134227-45-5

Molecular Formula:

C7H2F3N

Molecular Weight:

157.0927

MDL Number:

MFCD00173751

SMILES:

N#Cc1cc(F)c(c(c1)F)F

Properties

BP:

190.5 °C at 760 mmHg

Form:

Solid

MP:

45-47 °C

Storage:

Keep in dry area;2-8℃;

Computed Properties

Complexity:

173

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

XLogP3:

Literature

Title: Vibrational fundamentals and natural bond orbitals analysis of some tri-fluorinated benzonitriles in ground state.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

Title: Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215

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