CAS 98349-22-5|2,4,5-Trifluorobenzonitrile

Introduction：Basic information about CAS 98349-22-5|2,4,5-Trifluorobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles3
6. Synonyms

Common Name	2,4,5-Trifluorobenzonitrile
CAS Number	98349-22-5	Molecular Weight	157.093
Density	1.4±0.1 g/cm3	Boiling Point	180.5±35.0 °C at 760 mmHg
Molecular Formula	C₇H₂F₃N	Melting Point	168-170ºC
MSDS	ChineseUSA	Flash Point	83.3±0.0 °C

Names

Name	2,4,5-Trifluorobenzonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	180.5±35.0 °C at 760 mmHg
Melting Point	168-170ºC
Molecular Formula	C₇H₂F₃N
Molecular Weight	157.093
Flash Point	83.3±0.0 °C
Exact Mass	157.013931
PSA	23.79000
LogP	1.38
Vapour Pressure	0.9±0.3 mmHg at 25°C
Index of Refraction	1.464
InChIKey	DLKNOGQOOZFICZ-UHFFFAOYSA-N
SMILES	N#Cc1cc(F)c(F)cc1F

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S36/37/39-S26
RIDADR	3276
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	2926909090

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles3

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

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(4) , 1571-80, (2008)

Raman and FTIR spectra of 2,4,5- and 3,4,5-tri-fluoro-benzonitriles have been recorded in the regions 50-4000 cm(-1) and 400-4000 cm(-1), respectively. Measurement of depolarization ratios for the Ram...

Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.

Org. Biomol. Chem. 5(15) , 2464-71, (2007)

Gel-phase (19)F NMR spectroscopy is a useful monitoring technique for solid-phase organic chemistry due to the high information content it delivers and swift acquisition times, using standard NMR spec...

Regioselective nucleophilic substitutions of fluorobenzene derivatives Wells KM, et al.

Tetrahedron Lett. 37(36) , 6439-42, (1996)

Synonyms

2,4,5-trifluorophenylnitrile

2,4,5-trifluoro-benzonitrile

2,4,5-Trifluorobenzonitrile

Benzonitrile,2,4,5-trifluoro

3-flurophenol

Benzonitrile, 2,4,5-trifluoro-

NCR BF DF EF

MFCD00013289

Recommended......