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2-Amino-5-isothiocyanatobenzoic acid
[CAS# 649549-95-1]

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Identification
Name 2-Amino-5-isothiocyanatobenzoic acid
Synonyms 2-Amino-5-ethyl-pyrimidine-4,6-diol; 2-Amino-5-isothiocyanatobenzoic acid
Molecular Structure CAS#: 649549-95-1, 2-Amino-5-isothiocyanatobenzoic acid
Molecular Formula C8H6N2O2S
Molecular Weight 194.21
CAS Registry Number 649549-95-1
SMILES O=C(O)c1cc(\N=C=S)ccc1N
InChI 1S/C8H6N2O2S/c9-7-2-1-5(10-4-13)3-6(7)8(11)12/h1-3H,9H2,(H,11,12)
InChIKey VWOZNPKBNJRSES-UHFFFAOYSA-N
Properties
Density 1.412g/cm3 (Cal.)
Boiling point 434.914°C at 760 mmHg (Cal.)
Flash point 216.828°C (Cal.)
Refractive index 1.661 (Cal.)
Market Analysis Reports
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