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Sigma-Aldrich

Chloroacetyl isocyanate

≥95%

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About This Item

Linear Formula:
ClCH2CONCO
CAS Number:
4461-30-7
Molecular Weight:
119.51
EC Number:
224-715-4
MDL number:
MFCD00002034
UNSPSC Code:
12352100
PubChem Substance ID:
24855702
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.)

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

H301,H314,H334

Hazard Classifications

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

Supplementary Hazards

EUH014

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of 4-azacyclopent-2-enones and 5, 5-dialkyl-4-azacyclopent-2-enones.
Dauvergne J, et al.
Tetrahedron, 60(11), 2559-2567 (2004)
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

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