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495603

Sigma-Aldrich

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
MDL number:
MFCD01863579
UNSPSC Code:
12352100
PubChem Substance ID:
24872988

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

SMILES string

CCOC(=O)CCCN=C=O

InChI

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

InChI key

GVDRIEURYWMQNO-UHFFFAOYSA-N

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.

Application

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

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

219.2 °F - closed cup

Flash Point(C)

104 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

495603-BULK:
495603-1G:
495603-VAR:

Certificates of Analysis (COA)

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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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