Butoxycarbonylmethyl Isothiocyanate
[CAS# 58511-01-6]

Identification

• Name: Butoxycarbonylmethyl Isothiocyanate
• Synonyms: 2-Isothiocyanatoacetic Acid Butyl Ester; Butyl 2-Isothiocyanatoethanoate; Isothiocyanic Acid, Carbobutoxymethyl Ester
• Molecular Formula: C₇H₁₁NO₂S
• Molecular Weight: 173.23
• CAS Registry Number: 58511-01-6
• SMILES: S=C=NCC(OCCCC)=O
• InChI: 1S/C7H11NO2S/c1-2-3-4-10-7(9)5-8-6-11/h2-5H2,1H3
• InChIKey: MYYTWKDSPBVFGF-UHFFFAOYSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 243.974°C at 760 mmHg (Cal.)
• Flash point: 101.352°C (Cal.)