4-Butyl-1-Isothiocyanato-2-Methylbenzene
[CAS# 175205-37-5]

Identification

• Name: 4-Butyl-1-Isothiocyanato-2-Methylbenzene
• Synonyms: 4-Butyl-1-Isothiocyanato-2-Methyl-Benzene; Zinc02565037
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.32
• CAS Registry Number: 175205-37-5
• SMILES: S=C=NC1=CC=C(C=C1C)CCCC
• InChI: 1S/C12H15NS/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
• InChIKey: BJMLHJJEHDPCKW-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 310.3±31.0°C at 760 mmHg (Cal.)
• Flash point: 146.9±32.6°C (Cal.)

Safety Data

• Safety Code: S26;S36/37/39;S45
• Risk Code: R20/21/22;R34
• Hazard Symbol: X;C
• Transport Information: UN2922
• Safety Description: DANGER: CORROSIVE, POISON, burns skin and eyes