Basic information
- CAS
71712-70-4- Standard SMILES
O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2- InChIKey
GOPUMYRJSKUMAN-UHFFFAOYSA-N- Molecular formula
- C12H4Cl3NO4
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 330.920591
Names & identifiers
- Preferred name
- 2,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin
- IUPAC
- 2,3,7-trichloro-8-nitrodibenzo-p-dioxin
- English name
- 2-nitro-3,7,8-trichlorodibenzo-4-dioxin
- Molecular formula
- C12H4Cl3NO4
- Molecular weight
- 332.52
Names & synonyms
71712-70-42-Nitro-3,7,8-trichlorodibenzo-4-dioxin2NTCDDRefChem:9085802,3,7-Trichloro-8-nitrodibenzo(b,e)(1,4)dioxin8-Nitro-2,3,7-trichlorodibenzo-p-dioxin2,3,7-trichloro-8-nitrodibenzo-p-dioxin2,3,7-TRICHLORO-8-NITROOXANTHRENECCRIS 2667Oprea1_690515DIBENZO-p-DIOXIN, 8-NITRO-2,3,7-TRICHLORO-CHEMBL166607
Show more names
2-NITRO-3,7,8-TRICHLORODIBENZO-PARA-DIOXINDibenzo[b,e][1,4]dioxin, 2,3,7-trichloro-8-nitro-
SCHEMBL10688958DTXSID40992319AKOS037447734
Database identifiers
- CAS
71712-70-4- PubChem CID
- 51385
- DTXSID
DTXSID40992319- ChEMBL
CHEMBL166607
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 460.5 · 460.5±45.0 °C(Predicted)
- Density
- 1.697 · 1.697±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…