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3,5-Diisothiocyanatobenzoic Acid
[CAS# 151890-10-7]

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Identification
Name 3,5-Diisothiocyanatobenzoic Acid
Synonyms 3,5-Diisothiocyanatobenzoicacid; MFCD00060701
Molecular Structure CAS#: 151890-10-7, 3,5-Diisothiocyanatobenzoic Acid
Molecular Formula C9H4N2O2S2
Molecular Weight 236.27
CAS Registry Number 151890-10-7
SMILES S=C=N\c1cc(cc(\N=C=S)c1)C(=O)O
InChI 1S/C9H4N2O2S2/c12-9(13)6-1-7(10-4-14)3-8(2-6)11-5-15/h1-3H,(H,12,13)
InChIKey FYIAGFHYULXJLE-UHFFFAOYSA-N
Properties
Density 1.387g/cm3 (Cal.)
Melting point 150-152°C (Expl.)
Boiling point 511.908°C at 760 mmHg (Cal.)
Flash point 263.393°C (Cal.)
Refractive index 1.674 (Cal.)
Safety Data
Safety Description IRRITANT-HARMFUL
SDS Available
Market Analysis Reports
List of Reports Available for 3,5-Diisothiocyanatobenzoic Acid
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