Skip to Content
Merck
All Photos(1)

Key Documents

259322

Sigma-Aldrich

Chloroacetyl isocyanate

≥95%

Sign Into View Organizational & Contract Pricing


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

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Supplementary Hazards

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

143.6 °F - closed cup

Flash Point(C)

62 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Ralph Mazitschek et al.
Organic & biomolecular chemistry, 3(11), 2150-2154 (2005-05-27)
A promising approach among the numerous efforts to cure cancer is the interruption of the tumour-induced formation of new blood vessels (angiogenesis). By suppressing angiogenesis with drugs, the tumour can neither grow to a life threatening size, nor metastasize. The
Synthesis of 4-azacyclopent-2-enones and 5, 5-dialkyl-4-azacyclopent-2-enones.
Dauvergne J, et al.
Tetrahedron, 60(11), 2559-2567 (2004)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service