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Sigma-Aldrich

2-Fluorophenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H4NCO
CAS Number:
16744-98-2
Molecular Weight:
137.11
EC Number:
240-804-0
MDL number:
MFCD00001996
UNSPSC Code:
12352100
PubChem Substance ID:
24849808
NACRES:
NA.22

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.5144 (lit.)

density

1.222 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Fc1ccccc1N=C=O

InChI

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

InChI key

VZNCSZQPNIEEMN-UHFFFAOYSA-N

Related Categories

General description

2-Fluorophenyl isocyanate is the main component of essential oil from Rhododendron thymifolium Maxim. Molecular geometry of 2-fluorophenyl isocyanate has been investigated by microwave spectroscopy and nuclear magnetic resonance spectroscopy.

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

wgk_germany

WGK 3

flash_point_f

closed cup

flash_point_c

closed cup

ppe

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

Certificates of Analysis (COA)

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Microwave spectroscopy and nuclear magnetic resonance study of the molecular geometry of 2-fluorophenylisocyanate.
Masson MA, et al.
Journal of Molecular Structure, 68, 307-314 (1980)
Studies on the Essential Constituent of Rhododendron thymifolium Maxim.
Ji Z, et al.
Acta Horticulturae Sinica, 29(4), 386-388 (2002)

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