Einecs 239-822-1

Base Information

• Chemical Name: Einecs 239-822-1
• CAS No.: 15728-19-5
• Molecular Formula: C13H20N2O7
• Molecular Weight: 316.3071
• European Community (EC) Number: 239-822-1
• DSSTox Substance ID: DTXSID50935651
• Mol file: 15728-19-5.mol

Synonyms:15728-19-5;EINECS 239-822-1;DTXSID50935651;3-Nitrobenzoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1);m-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)

Chemical Property of Einecs 239-822-1

Chemical Property:

• Boiling Point: 340.7°Cat760mmHg
• Flash Point: 157.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 316.12705098
• Heavy Atom Count: 22
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O.C(CO)N(CCO)CCO

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