2-Hydroxy-1,7,7-Trimethylbicyclo[2.2.1]Heptane-2-Carbonitrile
[CAS# 6246-40-8]

Identification

• Name: 2-Hydroxy-1,7,7-Trimethylbicyclo[2.2.1]Heptane-2-Carbonitrile
• Synonyms: [[3-Bromo-4-[(2-Fluorophenyl)Methoxy]-5-Methoxy-Phenyl]Methyleneamino]Thiourea; [[3-Bromo-4-[(2-Fluorophenyl)Methoxy]-5-Methoxyphenyl]Methyleneamino]Thiourea; [[3-Bromo-4-(2-Fluorobenzyl)Oxy-5-Methoxy-Benzylidene]Amino]Thiourea
• Molecular Formula: C₁₆H₁₅BrFN₃O₂S
• Molecular Weight: 412.28
• CAS Registry Number: 6246-40-8
• SMILES: C1=C(C=C(Br)C(=C1OC)OCC2=CC=CC=C2F)/C=N/NC(=S)N
• InChI: 1S/C16H15BrFN3O2S/c1-22-14-7-10(8-20-21-16(19)24)6-12(17)15(14)23-9-11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,21,24)/b20-8+
• InChIKey: DWEHQOULYWLDKU-DNTJNYDQSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 516.837°C at 760 mmHg (Cal.)
• Flash point: 266.374°C (Cal.)