Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
[CAS# 1195-12-6]

Identification

• Name: Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
• Synonyms: (1R,2R,4R)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; (1R,2S,4R)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; 4-09-00-00224 (Beilstein Handbook Reference)
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.16
• CAS Registry Number: 1195-12-6
• SMILES: C1C2CC(C1C=C2)C(=O)O
• InChI: 1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)
• InChIKey: FYGUSUBEMUKACF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 266.7±19.0°C at 760 mmHg (Cal.)
• Flash point: 120.8±16.2°C (Cal.)
• Refractive index: 1.493 (Expl.)

Safety Data

• Safety Code: S26;S36/37/39;S45
• Risk Code: R34
• Transport Information: UN3265
• Safety Description: DANGER: CORROSIVE, burns skin and eyes

References

• (1): Alex A. Aimetti, Richard K. Shoemaker, Chien-Chi Lin and Kristi S. Anseth. On-resin peptide macrocyclization using thiol–ene click chemistry, Chem. Commun., 2010, 46, 4061.