1,4-Phenylene Diisothiocyanate
[CAS# 4044-65-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyanate ester / isocyanate
• Name: 1,4-Phenylene Diisothiocyanate
• Synonyms: 1,4-Phenylen-Diisothiocyanat; 4-13-00-00174 (Beilstein Handbook Reference); Ai3-28258
• Molecular Formula: C₈H₄N₂S₂
• Molecular Weight: 192.25
• CAS Registry Number: 4044-65-9
• EINECS: 223-741-3
• SMILES: S=C=NC1=CC=C(C=C1)N=C=S
• InChI: 1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
• InChIKey: OMWQUXGVXQELIX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 130°C (Expl.)
• Boiling point: 339.4±25.0°C at 760 mmHg (Cal.)
• Flash point: 167.2±31.0°C (Cal.)

Safety Data

• Safety Code: S22;S26;S36/37/39;S45;S60;S61
• Risk Code: R20/21/22;R34;R42;R50/53
• Hazard Symbol: X;C;N
• Transport Information: UN2923
• Safety Description: DANGER: CORROSIVE, POISON, burns skin and eyes

References

• (1): Claudia Haensch, Stephanie Hoeppener and Ulrich S. Schubert. Chemical modification of self-assembled silane based monolayers by surface reactions, Chem. Soc. Rev., 2010, 39, 2323.