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159360

3-Fluorophenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H4NCO
CAS Number:
404-71-7
Molecular Weight:
137.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849810
EC Number:
206-966-1
Beilstein/REAXYS Number:
774879
MDL number:
MFCD00002015
Assay:
97%
Form:
liquid
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assay

97%

form

liquid

refractive index

n20/D 1.514 (lit.)

density

1.201 g/mL at 25 °C (lit.)

functional group

fluoro, isocyanate

storage temp.

2-8°C

SMILES string

Fc1cccc(c1)N=C=O

InChI

1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChI key

RIKWVZGZRYDACA-UHFFFAOYSA-N

General description

3-Fluorophenyl isocyanate is an aryl fluorinated building block used in chemical synthesis.

Application

3-Fluorophenyl isocyanate was used in the synthesis of linezolid. It was also used in the preparation of substituted 6-ureidopurines, 6(N2-3-fluorophenyl)ureidopurine.

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

107.6 °F - closed cup

flash_point_c

42 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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