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Merck
CN

479012

Ethyl 3-isocyanatopropionate

98%

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About This Item

Linear Formula:
OCNCH2CH2CO2C2H5
CAS Number:
5100-34-5
Molecular Weight:
143.14
NACRES:
NA.22
PubChem Substance ID:
24871592
UNSPSC Code:
12352100
MDL number:
MFCD00078461
Assay:
98%

Key Documents

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InChI

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

SMILES string

CCOC(=O)CCN=C=O

InChI key

XBSGYVHOINMTIM-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.429 (lit.)

bp

68 °C/3 mmHg (lit.)

density

1.087 g/mL at 25 °C (lit.)

functional group

amine, ester, isocyanate

storage temp.

2-8°C

Quality Level

100

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

signalword

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

199.4 °F - closed cup

flash_point_c

93 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR6207
MKCS4360
MKBW0525V
07296LMV
20196HK

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Siwarutt Boonyarattanakalin et al.
Journal of the American Chemical Society, 128(35), 11463-11470 (2006-08-31)
Binding of ligands to macromolecular receptors on the surface of mammalian cells often results in ligand uptake through receptor-mediated endocytosis. Certain human leukocytes and epithelial cells express Fc receptors (FcRs) that bind and internalize antibodies through this mechanism. To mimic

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