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
General description
6-异氰酰己炔羧酸乙酯可以通过6-氨基己酸乙酯盐酸盐与光气反应合成。对其沸点汽化焓进行了评价。
Application
6-异氰酰己炔羧酸乙酯可用于1-（5-乙氧基羰基戊基氨基甲酰基）-5-氟尿嘧啶的合成。
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
存储类别
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
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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