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Basic information
- CAS
100873-14-1- Standard SMILES
O=[N+]([O-])c1cc(C(c2ccc(O)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)ccc1O- InChIKey
JKRAQDSEBALHRP-UHFFFAOYSA-N- Molecular formula
- C14H9Cl3N2O6
- Average molar mass
- 407.593 g/mol
- Monoisotopic mass
- 405.95261905
Names & identifiers
- Preferred name
- TCMDC-124158
- IUPAC
- 4,4'-(2,2,2-Trichloroethane-1,1-diyl)bis(2-nitrophenol)
- English name
- Phenol, 4,4'-(2,2,2-trichloroethylidene)bis[2-nitro-
- Molecular formula
- C14H9Cl3N2O6
- Molecular weight
- 407.59
Names & synonyms
Phenol, 4,4'-(2,2,2-trichloroethylidene)bis[2-nitro-4,4'-(2,2,2-TRICHLOROETHANE-1,1-DIYL)BIS(2-NITROPHENOL)4,4'-(2,2,2-TRICHLOROETHANE-1,1-DIYL)BIS(2-NITROPHENOL)
Database identifiers
- CAS
100873-14-1- PubChem CID
- 4344530
- DTXSID
DTXSID60402162- ChEMBL
CHEMBL533400
Properties
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 499.4 · 499.4±45.0 °C(Predicted)
- Density
- 1.692 · 1.692±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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