1-Ethynyl-2,4,5-trimethylbenzene

Base Information

• Chemical Name: 1-Ethynyl-2,4,5-trimethylbenzene
• CAS No.: 351002-92-1
• Molecular Formula: C₁₁H₁₂
• Molecular Weight: 144.216
• Hs Code.: 2902909090
• European Community (EC) Number: 625-419-1
• DSSTox Substance ID: DTXSID60584119
• Nikkaji Number: J2.466.633F
• Wikidata: Q82475752
• Mol file: 351002-92-1.mol

Synonyms:1-Ethynyl-2,4,5-trimethylbenzene;351002-92-1;Benzene,1-ethynyl-2,4,5-trimethyl-;3,4,6-Trimethyl phenylacetylene;DTXSID60584119;1-ethynyl-2,4,5-trimethyl-benzene;AKOS010651619;1-Ethynyl-2,4,5-trimethylbenzene, 97%;EN300-1848439;A822549;J-019897

Chemical Property of 1-Ethynyl-2,4,5-trimethylbenzene

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.524
• Boiling Point: 222°C at 760 mmHg
• Flash Point: 77.4°C
• PSA: 0.00000
• Density: 0.92g/cm³
• LogP: 2.59310
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.093900383
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Ethynyl-2,4,5-trimethylbenzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)C#C)C