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About This Item
Linear Formula:
Cl2C6H2(F)CF3
CAS Number:
Molecular Weight:
232.99
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
assay
98%
form
liquid
refractive index
n20/D 1.462 (lit.)
bp
166-168 °C (lit.)
density
1.555 g/mL at 25 °C (lit.)
functional group
chloro
fluoro
SMILES string
Fc1c(Cl)cc(cc1Cl)C(F)(F)F
InChI
1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChI key
BWQFQKZDLBJZAW-UHFFFAOYSA-N
General description
3,5-Dichloro-4-fluorobenzotrifluoride is an aryl fluorinated building block.
Application
3,5-Dichloro-4-fluorobenzotrifluoride may be used for the synthesis of 3-[4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]]-3-(trifluoromethyl)diazirine.[1]
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk_germany
WGK 3
flash_point_f
163.4 °F - closed cup
flash_point_c
73 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Robert E Sammelson et al.
The Journal of organic chemistry, 68(21), 8075-8079 (2003-10-11)
3-[4-[1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazolo]]-3-(trifluoromethyl)diazirine is a fipronil-based (i.e. fiprole), high-affinity probe for the GABA receptor. For synthesis of the tritium-labeled version of this trifluoromethyldiazirinylfiprole ([(3)H]TDF) the required intermediate, 3-[4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]]-3-(trifluoromethyl)diazirine, was prepared in 10 steps from pyrazole and 3,5-dichloro-4-fluorobenzotrifluoride. One of the key transformations
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