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495611

Sigma-Aldrich

Ethyl 6-isocyanatohexanoate

98%

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About This Item

Linear Formula:
OCN(CH2)5CO2C2H5
CAS Number:
Molecular Weight:
185.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Pricing and availability is not currently available.

Quality Level

Assay

98%

refractive index

n20/D 1.439 (lit.)

bp

253 °C (lit.)

density

1.032 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCOC(=O)CCCCCN=C=O

InChI

1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3

InChI key

ZCLBSYCOBSMTMV-UHFFFAOYSA-N

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1 of 4

This Item
324728229156374806
refractive index

n20/D 1.439 (lit.)

refractive index

n20/D 1.458 (lit.)

refractive index

-

refractive index

n20/D 1.437 (lit.)

density

1.032 g/mL at 25 °C (lit.)

density

1.254 g/mL at 25 °C (lit.)

density

-

density

0.985 g/mL at 25 °C (lit.)

bp

253 °C (lit.)

bp

128-130 °C/16 mmHg (lit.)

bp

-

bp

127-128 °C/12 mmHg (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

General description

Ethyl 6-isocyanatohexanoate can be synthesized by reacting ethyl 6-aminohexanoate hydrochloride with phosgene.[1] Its enthalpy of vaporization at boiling point has been evaluated.[2]

Application

Ethyl 6-isocyanatohexanoate may be used in the synthesis of 1-(5-ethoxycarbonylpentylcarbamoyl)-5-fluorouracil.[1]

Pictograms

Health hazardExclamation mark

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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    Yaws CL.
    Thermophysical Properties of Chemicals and Hydrocarbons, 570-570 (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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