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About This Item
Linear Formula:
F2C6H3NCO
CAS Number:
Molecular Weight:
155.10
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
assay
98%
refractive index
n20/D 1.494 (lit.)
density
1.323 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Fc1ccc(F)c(c1)N=C=O
InChI
1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI key
SNHIIFOXCRYGGY-UHFFFAOYSA-N
General description
2,5-Difluorophenyl isocyanate is an aryl fluorinated building block. It is also referred as 2,5-difluorophenyl ester of isocyanic acid.
Application
2,5-Difluorophenyl isocyanate may be used in the preparation of a potential antiatherosclerotic agent.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
132.8 °F - closed cup
flash_point_c
56 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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V G DeVries et al.
Journal of medicinal chemistry, 32(10), 2318-2325 (1989-10-01)
The discovery that a series of N,N-dialkyl-N'-arylureas were inhibitors of the ACAT enzyme has led to a structure-activity study involving the systematic modification of three sites of the urea backbone. This study culminated in the selection of N'-(2,4-dimethylphenyl)-N-benzyl-N-n-butylurea (115) for


