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478393

Sigma-Aldrich

2,4-Dichlorobenzyl isocyanate

98%

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About This Item

Linear Formula:
Cl2C6H3CH2NCO
CAS Number:
Molecular Weight:
202.04
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

assay

98%

refractive index

n20/D 1.565 (lit.)

bp

273 °C (lit.)

density

1.388 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Clc1ccc(CN=C=O)c(Cl)c1

InChI

1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2

InChI key

FUIUATRKBRZCQD-UHFFFAOYSA-N

General description

2,4-Dichlorobenzyl isocyanate, also known as 2,4-dichloro-1-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.

application

2,4-Dichlorobenzyl isocyanate may be used in the preparation of N-(2,5-dichlorobenzyl)-1-(4-methoxybenzyl)-4,5-dihydro-1H-imidazol-2-amine.[1]

pictograms

Health hazardExclamation mark

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

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


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Synthesis of Differentially Substituted 2-Aminoimidazolidines via a Microwave-Assisted Tandem Staudinger/Aza-Wittig Cyclization.
Kumar R, et al.
The Journal of Organic Chemistry, 78(11), 5737-5743 (2013)

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