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487309

Sigma-Aldrich

4-Fluorobenzyl isocyanate

98%

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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

Signal Word

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

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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