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Methyl 3-amino-2-thiocyanatobenzoate
[CAS# 697754-58-8]

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Identification
Name Methyl 3-amino-2-thiocyanatobenzoate
Synonyms methyl 3-amino-2-thiocyanatobenzoate
Molecular Structure CAS#: 697754-58-8, Methyl 3-amino-2-thiocyanatobenzoate
Molecular Formula C9H8N2O2S
Molecular Weight 208.24
CAS Registry Number 697754-58-8
SMILES COC(=O)c1cccc(c1SC#N)N
InChI 1S/C9H8N2O2S/c1-13-9(12)6-3-2-4-7(11)8(6)14-5-10/h2-4H,11H2,1H3
InChIKey OXZJNTSZSGUDEH-UHFFFAOYSA-N
Properties
Density 1.356g/cm3 (Cal.)
Boiling point 343.894°C at 760 mmHg (Cal.)
Flash point 161.782°C (Cal.)
Refractive index 1.622 (Cal.)
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