Coccinene

Base Information

• Chemical Name: Coccinene
• CAS No.: 95044-70-5
• Molecular Formula: C10H14BrCl3
• Molecular Weight: 320.4812
• Nikkaji Number: J866.475G
• Wikidata: Q105245596
• Metabolomics Workbench ID: 168684

Synonyms:Coccinene;95044-70-5;1beta-[(E)-2-Chlorovinyl]-1,5-dimethyl-2beta-bromo-4beta,5alpha-dichlorocyclohexane

Chemical Property of Coccinene

Chemical Property:

• Vapor Pressure: 0.000286mmHg at 25°C
• Boiling Point: 332.2°C at 760 mmHg
• Flash Point: 191.6°C
• Density: 1.46g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 317.93445
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(C(CC1Br)Cl)(C)Cl)C=CCl
• Isomeric SMILES: C[C@]1(C[C@@]([C@@H](C[C@@H]1Br)Cl)(C)Cl)/C=C/Cl

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