1,4,5,6,7,10,11,16,17,18,19,19,20,20-Tetradecachloro-12-nitrohexacyclo[14.2.1.1^4,7.0^2,15.0^3,8.0^9,14]icosa-5,9,11,13,17-pentaene
[CAS# 84195-76-6]

Identification

• Name: 1,4,5,6,7,10,11,16,17,18,19,19,20,20-Tetradecachloro-12-nitrohexacyclo[14.2.1.1^4,7.0^2,15.0^3,8.0^9,14]icosa-5,9,11,13,17-pentaene
• Synonyms: 1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene
• Molecular Formula: C₂₀H₅Cl₁₄NO₂
• Molecular Weight: 787.60
• CAS Registry Number: 84195-76-6
• EINECS: 282-383-6
• SMILES: [O-][N+](=O)c1cc3c(c(Cl)c1Cl)C5C(C4C2(Cl)C(/Cl)=C(/Cl)C(Cl)(C2(Cl)Cl)C34)C6(Cl)C(\Cl)=C(\Cl)C5(Cl)C6(Cl)Cl
• InChI: 1S/C20H5Cl14NO2/c21-9-3(35(36)37)1-2-4(10(9)22)6-8(18(30)14(26)12(24)16(6,28)20(18,33)34)7-5(2)15(27)11(23)13(25)17(7,29)19(15,31)32/h1,5-8H
• InChIKey: YMERVEOEVPNZQG-UHFFFAOYSA-N

Properties

• Density: 2.051g/cm³ (Cal.)
• Boiling point: 650.207°C at 760 mmHg (Cal.)
• Flash point: 347.033°C (Cal.)