Ethyl 6-isocyanatohexanoate

ALDRICH/495611 - 98%

CAS Number: 5100-36-7
Empirical Formula (Hill Notation): C₉H₁₅NO₃
Molecular Weight: 185.22
MDL Number: MFCD00078410
Linear Formula: OCN(CH₂)₅CO₂C₂H₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-495611-2G	2 g	$93.30 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	253 °C (lit.)
density	1.032 g/mL at 25 °C (lit.)
InChI	1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3
InChI key	ZCLBSYCOBSMTMV-UHFFFAOYSA-N
refractive index	n20/D 1.439 (lit.)
SMILES string	CCOC(=O)CCCCCN=C=O
storage temp.	2-8°C

Application:	Ethyl 6-isocyanatohexanoate may be used in the synthesis of 1-(5-ethoxycarbonylpentylcarbamoyl)-5-fluorouracil.
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.
Packaging:	2 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H302 + H312 + H332 - H317 - H319 - H334
Precautionary statements	P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36
Safety Statements	23-26-36/37/39
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	98%
bp	253 °C (lit.)
Density	1.032 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.439 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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