365858
4-Iodobenzotrifluoride
97%
Synonym(s):
4-Iodo-α,α,α-trifluorotoluene
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About This Item
Linear Formula:
IC6H4CF3
CAS Number:
Molecular Weight:
272.01
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-234-4
MDL number:
Assay:
97%
Form:
liquid
Quality Segment
assay
97%
form
liquid
refractive index
n20/D 1.516 (lit.)
bp
185-186 °C/745 mmHg (lit.)
mp
−8.33 °C (lit.)
density
1.851 g/mL at 25 °C (lit.)
functional group
fluoro, iodo
SMILES string
FC(F)(F)c1ccc(I)cc1
InChI
1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChI key
SKGRFPGOGCHDPC-UHFFFAOYSA-N
General description
4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.
Application
4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
156.2 °F - closed cup
flash_point_c
69 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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