495603

Ethyl 4-isocyanatobutyrate

97%

• Linear Formula: OCN(CH₂)₃CO₂C₂H₅
• CAS Number: 106508-62-7
• Molecular Weight: 157.17
• MDL number: MFCD01863579
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872988

Properties

• assay: 97%
• refractive index: n20/D 1.434 (lit.)
• bp: 214 °C (lit.)
• density: 1.065 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CCOC(=O)CCCN=C=O
• InChI: 1S/C7H11NO3/c1-2-11-7(10)4-3-5-8-6-9/h2-5H2,1H3
• InChI key: GVDRIEURYWMQNO-UHFFFAOYSA-N

Description

General description

Ethyl 4-isocyanatobutyrate can be synthesized by reacting ethyl 4-aminobutyrate hydrochloride with phosgene.[1] Its enthalpy of vaporization at boiling point has been evaluated.[2]

Application

Ethyl 4-isocyanatobutyrate may be used in the synthesis of 1-(3-ethoxycarbonylpropylcarbamoyl)-5-fluorouracil.[1]

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• 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 Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 219.2 °F - closed cup
• flash_point_c: 104 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter