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Methyl 4-Isothiocyanatobutanoate
[CAS# 62210-26-8]

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Identification
Name Methyl 4-Isothiocyanatobutanoate
Synonyms 4-Isothiocyanatobutanoic Acid Methyl Ester; 4-Isothiocyanatobutyric Acid Methyl Ester; Zinc04206436
Molecular Structure CAS#: 62210-26-8, Methyl 4-Isothiocyanatobutanoate
Molecular Formula C6H9NO2S
Molecular Weight 159.20
CAS Registry Number 62210-26-8
SMILES S=C=NCCCC(=O)OC
InChI 1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3
InChIKey RIAAMQLODIETQE-UHFFFAOYSA-N
Properties
Density 1.096g/cm3 (Cal.)
Boiling point 244.824°C at 760 mmHg (Cal.)
Flash point 101.866°C (Cal.)
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