6,7,8,8alpha-Tetrahydro-2,5,5,8alpha-Tetramethyl-5H-1-Benzopyran
[CAS# 5552-30-7]

Identification

• Name: 6,7,8,8alpha-Tetrahydro-2,5,5,8alpha-Tetramethyl-5H-1-Benzopyran
• Synonyms: Ethyl 2-[(2-Chloro-4-Nitro-Benzoyl)Amino]Benzoate; 2-[[(2-Chloro-4-Nitrophenyl)-Oxomethyl]Amino]Benzoic Acid Ethyl Ester; 2-[(2-Chloro-4-Nitro-Benzoyl)Amino]Benzoic Acid Ethyl Ester
• Molecular Formula: C₁₆H₁₃ClN₂O₅
• Molecular Weight: 348.74
• CAS Registry Number: 5552-30-7
• EINECS: 226-916-2
• SMILES: C1=C(Cl)C(=CC=C1[N+]([O-])=O)C(NC2=CC=CC=C2C(=O)OCC)=O
• InChI: 1S/C16H13ClN2O5/c1-2-24-16(21)12-5-3-4-6-14(12)18-15(20)11-8-7-10(19(22)23)9-13(11)17/h3-9H,2H2,1H3,(H,18,20)
• InChIKey: LMMQCPDIOMQXNL-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 446.563°C at 760 mmHg (Cal.)
• Flash point: 223.874°C (Cal.)