264490
2,4-Difluorophenylacetonitrile
97%
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About This Item
Linear Formula:
F2C6H3CH2CN
CAS Number:
Molecular Weight:
153.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
211-514-1
MDL number:
Assay:
97%
Form:
liquid
InChI key
AGAOESUOSOGZOD-UHFFFAOYSA-N
InChI
1S/C8H5F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
SMILES string
Fc1ccc(CC#N)c(F)c1
assay
97%
form
liquid
refractive index
n20/D 1.48 (lit.)
density
1.249 g/mL at 25 °C (lit.)
Application
2,4-Difluorophenylacetonitrile has been used in the preparation of (E,Z)-(4S)-4-tert-butoxycarbonylamino-3-hydroxy-2-(3,5-difluorophenyl)-5-phenyl-2pentenenitrile.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
199.4 °F - closed cup
flash_point_c
93 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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M Vaillancourt et al.
Bioorganic & medicinal chemistry, 2(5), 343-355 (1994-05-01)
A series of enol HIV-1 protease inhibitors which show competitive inhibition and the structure-activity relationship study which led to the design of these compounds are reported. By systematically modifying simple amino acids, Boc-Phe enol and Boc-Tyr enol derivatives yield nanomolar
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