495611

Ethyl 6-isocyanatohexanoate

98%

• Linear Formula: OCN(CH₂)₅CO₂C₂H₅
• CAS Number: 5100-36-7
• Molecular Weight: 185.22
• MDL number: MFCD00078410
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872989
• NACRES: NA.22

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H317,H319,H334
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter