Violacene

Base Information

• Chemical Name: Violacene
• CAS No.: 54279-01-5
• Molecular Formula: C₁₀H₁₃BrCl₄
• Molecular Weight: 354.929
• ChEMBL ID: CHEMBL2271710
• DSSTox Substance ID: DTXSID001122009
• Metabolomics Workbench ID: 166863,167465
• Nikkaji Number: J12.814G,J3.490.422G
• Wikidata: Q27151433
• Mol file: 54279-01-5.mol

Synonyms:Violacene;CHEBI:80933;54279-01-5;(1R,2S,4R,5R)-1-(bromomethyl)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-5-methylcyclohexane;CHEMBL2271710;DTXSID001122009;C17107;Q27151433;(1R,2S,4R,5R)-1-(Bromomethyl)-1,2,4-trichloro-5-[(1E)-2-chloroethenyl]-5-methylcyclohexane

Chemical Property of Violacene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 382.952°C at 760 mmHg
• Flash Point: 217.851°C
• PSA: 0.00000
• Density: 1.542g/cm³
• LogP: 5.12630
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 353.89252
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C(CC1Cl)Cl)(CBr)Cl)C=CCl
• Isomeric SMILES: C[C@@]1(C[C@@]([C@H](C[C@H]1Cl)Cl)(CBr)Cl)/C=C/Cl