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Methyl 3-Isothiocyanato-4-Methylbenzoate
[CAS# 269736-36-9]

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Identification
Name Methyl 3-Isothiocyanato-4-Methylbenzoate
Synonyms methyl 3-isothiocyanato-4-methylbenzoate
Molecular Structure CAS#: 269736-36-9, Methyl 3-Isothiocyanato-4-Methylbenzoate
Molecular Formula C10H9NO2S
Molecular Weight 207.25
CAS Registry Number 269736-36-9
SMILES Cc1ccc(cc1N=C=S)C(=O)OC
InChI 1S/C10H9NO2S/c1-7-3-4-8(10(12)13-2)5-9(7)11-6-14/h3-5H,1-2H3
InChIKey MPPVOZHMORPKRB-UHFFFAOYSA-N
Properties
Density 1.148g/cm3 (Cal.)
Boiling point 343.35°C at 760 mmHg (Cal.)
Flash point 161.453°C (Cal.)
Refractive index 1.56 (Cal.)
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