4-Ethynyl-2-nitrophenol

Base Information

• Chemical Name: 4-Ethynyl-2-nitrophenol
• CAS No.: 70239-81-5
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.1302
• DSSTox Substance ID: DTXSID70606432
• Wikidata: Q82505186
• Mol file: 70239-81-5.mol

Synonyms:4-ethynyl-2-nitrophenol;70239-81-5;4-ETHYNYL-2-NITRO-PHENOL;SCHEMBL11377708;DTXSID70606432;NGFZLEANFAKXEA-UHFFFAOYSA-N;AKOS006279389;EN300-1852310

Chemical Property of 4-Ethynyl-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Boiling Point: 254.3°C at 760 mmHg
• PKA: 5.85±0.14(Predicted)
• Flash Point: 112.4°C
• PSA: 66.05000
• Density: 1.39g/cm³
• LogP: 1.80490
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

4-ETHYNYL-2-NITRO-PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=C(C=C1)O)[N+](=O)[O-]

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