495611
Ethyl 6-isocyanatohexanoate
98%
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About This Item
Linear Formula:
OCN(CH2)5CO2C2H5
CAS Number:
Molecular Weight:
185.22
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3
SMILES string
CCOC(=O)CCCCCN=C=O
InChI key
ZCLBSYCOBSMTMV-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.439 (lit.)
bp
253 °C (lit.)
density
1.032 g/mL at 25 °C (lit.)
functional group
amine, ester, isocyanate
storage temp.
2-8°C
Quality Level
Related Categories
General description
Ethyl 6-isocyanatohexanoate can be synthesized by reacting ethyl 6-aminohexanoate hydrochloride with phosgene. Its enthalpy of vaporization at boiling point has been evaluated.
Application
Ethyl 6-isocyanatohexanoate may be used in the synthesis of 1-(5-ethoxycarbonylpentylcarbamoyl)-5-fluorouracil.
signalword
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
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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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