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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
Recommended Products
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
Signal Word
Danger
Hazard Statements
Precautionary 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
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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)
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