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487309

Sigma-Aldrich

4-Fluorobenzyl isocyanate

98%

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About This Item

Linear Formula:
FC6H4CH2NCO
CAS Number:
132740-43-3
Molecular Weight:
151.14
MDL number:
MFCD00673062
UNSPSC Code:
12352100
PubChem Substance ID:
24872261
NACRES:
NA.22

Quality Level

100

assay

98%

refractive index

n20/D 1.505 (lit.)

bp

211 °C (lit.)

density

1.186 g/mL at 25 °C (lit.)

storage temp.

−20°C

SMILES string

Fc1ccc(CN=C=O)cc1

InChI

1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

InChI key

HHSIWJYERNCLKQ-UHFFFAOYSA-N

Related Categories

General description

4-Fluorobenzyl isocyanate, also known as 1-fluoro-4-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.

Application

4-Fluorobenzyl isocyanate may be used as a reagent in the synthesis of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide and (S)-2-(4-fluorobenzyl)-7-hydroxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - 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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Harald M H G Albers et al.
Journal of medicinal chemistry, 54(13), 4619-4626 (2011-05-28)
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Naoe Okamura et al.
The Journal of pharmacology and experimental therapeutics, 325(3), 893-901 (2008-03-14)
Neuropeptide S (NPS) has been shown to modulate arousal, sleep wakefulness, anxiety-like behavior, and feeding after central administration of the peptide agonist to mice or rats. We report here the chemical synthesis and pharmacological characterization of SHA 66 (3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid

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