N-(4-Pentynyl)phthalimide

Base Information

• Chemical Name: N-(4-Pentynyl)phthalimide
• CAS No.: 6097-07-0
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.236
• Hs Code.: 2925190090
• European Community (EC) Number: 628-129-3
• DSSTox Substance ID: DTXSID10472178
• Nikkaji Number: J1.185.220C
• Mol file: 6097-07-0.mol

Synonyms:N-(4-Pentynyl)phthalimide;6097-07-0;2-(Pent-4-yn-1-yl)isoindoline-1,3-dione;2-(pent-4-ynyl)isoindoline-1,3-dione;2-pent-4-ynylisoindole-1,3-dione;N-(4-PENTYNYL)PHTHALIMIDE 97;N-(4-pentynyl) phthalimide;SCHEMBL314533;DTXSID10472178;YNZIPXLLPFYDGM-UHFFFAOYSA-N;N-(4-Pentynyl)phthalimide, 97%;2-pent-4-ynyl-isoindole-1,3-dione;MFCD06798110;AKOS015898136;SB64168;CS-0136887;FT-0712479

Chemical Property of N-(4-Pentynyl)phthalimide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 87-91 °C(lit.)
• Refractive Index: 1.592
• Boiling Point: 339.702°C at 760 mmHg
• PKA: -2.18±0.20(Predicted)
• Flash Point: 148.823°C
• PSA: 37.38000
• Density: 1.229g/cm³
• LogP: 1.63390
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 328

Purity/Quality:

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

2-(Pent-4-ynyl)isoindoline-1,3-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCCN1C(=O)C2=CC=CC=C2C1=O
• Uses: N-(4-Pentynyl)phthalimide is used as pharmaceutical intermediate.