(1R,3aS,6aS)-1,3A,6A-Trimethyl-1,3A,4,5,6,6A-Hexahydro-1-Pentalenecarbonyl Chloride
[CAS# 148504-49-8]

Identification

• Name: (1R,3aS,6aS)-1,3A,6A-Trimethyl-1,3A,4,5,6,6A-Hexahydro-1-Pentalenecarbonyl Chloride
• Synonyms: (1R,3aS,6aS)-1,3a,6a-trimethyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbonyl chloride
• Molecular Formula: C₁₂H₁₇ClO
• Molecular Weight: 212.72
• CAS Registry Number: 148504-49-8
• SMILES: C[C@@]12CCC[C@@]1([C@](C=C2)(C)C(=O)Cl)C
• InChI: 1S/C12H17ClO/c1-10-5-4-6-12(10,3)11(2,8-7-10)9(13)14/h7-8H,4-6H2,1-3H3/t10-,11-,12-/m0/s1
• InChIKey: UPXHKNRQJAPFED-SRVKXCTJSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 238.706°C at 760 mmHg (Cal.)
• Flash point: 125.707°C (Cal.)
• Refractive index: 1.519 (Cal.)