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Merck
CN

374903

2,5-Difluorophenyl isocyanate

98%

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About This Item

Linear Formula:
F2C6H3NCO
CAS Number:
39718-32-6
Molecular Weight:
155.10
UNSPSC Code:
12352100
PubChem Substance ID:
24863348
MDL number:
MFCD00013843

Key Documents

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Product Name

2,5-Difluorophenyl isocyanate, 98%

InChI

1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

SMILES string

Fc1ccc(F)c(c1)N=C=O

InChI key

SNHIIFOXCRYGGY-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.494 (lit.)

density

1.323 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Application

2,5-Difluorophenyl isocyanate may be used in the preparation of a potential antiatherosclerotic agent.

General description

2,5-Difluorophenyl isocyanate is an aryl fluorinated building block. It is also referred as 2,5-difluorophenyl ester of isocyanic acid.

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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Certificates of Analysis (COA)

Lot/Batch Number
00708PH
17624MR
06924JS
04227JU
02521TZ

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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

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