Basic information
- CAS
62782-12-1- Standard SMILES
O=[N+]([O-])c1c(Cl)c(Cl)cc2c1Oc1cc(Cl)c(Cl)cc1O2- InChIKey
IXSTUEXABKYCLK-UHFFFAOYSA-N- Molecular formula
- C12H3Cl4NO4
- Average molar mass
- 367 g/mol
- Monoisotopic mass
- 364.881618
Names & identifiers
- Preferred name
- Dibenzo-p-dioxin, 1-nitro-2,3,7,8-tetrachloro-
- IUPAC
- 2,3,7,8-tetrachloro-1-nitrodibenzo-p-dioxin
- English name
- 1-Nitro-2,3,7,8-tetrachlorodibenzo-p-dioxin
- Molecular formula
- C12H3Cl4NO4
- Molecular weight
- 366.97
Names & synonyms
1-Nitro-2,3,7,8-tetrachlorodibenzo-p-dioxin62782-12-1DIBENZO-p-DIOXIN, 1-NITRO-2,3,7,8-TETRACHLORO-DTXSID70211848RefChem:337235DTXCID001343392,3,7,8-TETRACHLORO-1-NITROOXANTHRENEDB-363717Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro-1-nitro-
Database identifiers
- CAS
62782-12-1- PubChem CID
- 44157
- DTXSID
DTXSID70211848- Nikkaji
- J72.858F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 202 · 202-203 °C
- Boiling point
- 472.8 · 472.8±45.0 °C(Predicted)
- Density
- 1.765 · 1.765±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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