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479012

Sigma-Aldrich

Ethyl 3-isocyanatopropionate

98%

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Linear Formula:
OCNCH2CH2CO2C2H5
CAS Number:
5100-34-5
Molecular Weight:
143.14
MDL number:
MFCD00078461
UNSPSC Code:
12352100
PubChem Substance ID:
24871592
NACRES:
NA.22

Quality Level

100

Assay

98%

refractive index

n20/D 1.429 (lit.)

bp

68 °C/3 mmHg (lit.)

density

1.087 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCOC(=O)CCN=C=O

InChI

1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3

InChI key

XBSGYVHOINMTIM-UHFFFAOYSA-N

Related Categories

General description

Ethyl 3-isocyanatopropionate, also known as ethyl N-(oxomethylene)-β-alaninate, is an aliphatic isocyanate.

Application

Ethyl 3-isocyanatopropionate may be used in the synthesis of ethyl N-{[(3-[(tert-butoxycarbonyl)(-cholestan-3-yl)amino]propyl)amino]carbonyl}-β-alaninate.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Siwarutt Boonyarattanakalin et al.
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