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259322

Sigma-Aldrich

Chloroacetyl isocyanate

≥95%

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About This Item

Linear Formula:
ClCH2CONCO
CAS Number:
Molecular Weight:
119.51
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

≥95%

form

liquid

refractive index

n20/D 1.463 (lit.)

bp

50-55 °C/20 mmHg (lit.)

density

1.403 g/mL at 25 °C (lit.)

functional group

amine
chloro
isocyanate

storage temp.

−20°C

SMILES string

ClCC(=O)N=C=O

InChI

1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2

InChI key

MOVMEFHWBOWMFU-UHFFFAOYSA-N

Application

Chloroacetyl isocyanate has been used in the synthesis of:
  • fumagillin analogs
  • 2-chloro-N-(4-oxocyclopent-2-enyl)-acetamide

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B

supp_hazards

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

143.6 °F - closed cup

flash_point_c

62 °C - closed cup

ppe

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


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