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Merck
CN

495603

Ethyl 4-isocyanatobutyrate

97%

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About This Item

Linear Formula:
OCN(CH2)3CO2C2H5
CAS Number:
106508-62-7
Molecular Weight:
157.17
UNSPSC Code:
12352100
PubChem Substance ID:
24872988
MDL number:
MFCD01863579

Key Documents

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Product Name

Ethyl 4-isocyanatobutyrate, 97%

InChI

1S/C7H11NO3/c1-2-11-7(10)4-3-5-8-6-9/h2-5H2,1H3

SMILES string

CCOC(=O)CCCN=C=O

InChI key

GVDRIEURYWMQNO-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.434 (lit.)

bp

214 °C (lit.)

density

1.065 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Application

Ethyl 4-isocyanatobutyrate may be used in the synthesis of 1-(3-ethoxycarbonylpropylcarbamoyl)-5-fluorouracil.

General description

Ethyl 4-isocyanatobutyrate can be synthesized by reacting ethyl 4-aminobutyrate hydrochloride with phosgene. Its enthalpy of vaporization at boiling point has been evaluated.

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

10 - Combustible liquids

wgk

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
47096EK
08610ME
09117TA
04515ES
16812BO

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Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 542-542 (2014)
5-Fluorouracil derivatives. XI. Synthesis of 1-hexylcarbamoyl-5-fluorouracil metabolites.
Ozaki S, et al.
Chemical & Pharmaceutical Bulletin, 34(2), 893-896 (1986)

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