2-Diethylaminoethyl 4-Isothiocyanatobenzoate
[CAS# 129083-49-4]

Identification

• Name: 2-Diethylaminoethyl 4-Isothiocyanatobenzoate
• Synonyms: 4-Isothiocyanatobenzoic Acid 2-Diethylaminoethyl Ester; (3H)-Prit; 2-(Diethylamino)Ethyl 4-Isothiocyanatobenzoate
• Molecular Formula: C₁₄H₁₈N₂O₂S
• Molecular Weight: 278.37
• CAS Registry Number: 129083-49-4
• SMILES: S=C=NC1=CC=C(C(=O)OCCN(CC)CC)C=C1
• InChI: 1S/C14H18N2O2S/c1-3-16(4-2)9-10-18-14(17)12-5-7-13(8-6-12)15-11-19/h5-8H,3-4,9-10H2,1-2H3
• InChIKey: OEWIYUQCPIHWHB-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 403.703°C at 760 mmHg (Cal.)
• Flash point: 197.953°C (Cal.)