4-Fluorobenzotrifluoride

ALDRICH/195359 - 98%

Synonym: α,α,α,4-Tetrafluorotoluene

CAS Number: 402-44-8
Empirical Formula (Hill Notation): C₇H₄F₄
Molecular Weight: 164.10
EC Number: 206-944-1
MDL Number: MFCD00000399
Linear Formula: FC₆H₄CF₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-195359-5G	5 g	$51.70 1/EA		Add To Favorites
45-195359-25G	25 g	$104.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	102-105 °C (lit.)
density	1.293 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI key	UNNNAIWPDLRVRN-UHFFFAOYSA-N
mp	−42-−41.7 °C (lit.)
Quality Level	100
refractive index	n20/D 1.401 (lit.)
SMILES string	Fc1ccc(cc1)C(F)(F)F

Application:	4-Fluorobenzotrifluoride was used in the synthesis of: • 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol • (S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake • 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives
Packaging:	5, 25 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H225 - H315 - H319 - H335
Precautionary statements	P210 - P302 + P352 - P305 + P351 + P338
Hazard Codes	F,Xi
Risk Statements	11-36/37/38
Safety Statements	16-26-33
RIDADR	UN 1993BF 3 / PGII
WGK Germany	WGK 3
Flash Point(F)	51.8 °F - closed cup
Flash Point(C)	11 °C - closed cup

Purity	98%
bp	102-105 °C (lit.)
mp	−42-−41.7 °C (lit.)
Density	1.293 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.401 (lit.)
UNSPSC	12352100

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