Basic information
- CAS
64630-65-5- Standard SMILES
Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl- InChIKey
DNPLVEPZCOFBOK-UHFFFAOYSA-N- Molecular formula
- C12H5Cl6NO
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 388.85023
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-(2,4-dichlorophenoxy)aniline
- IUPAC
- 2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)aniline
- English name
- 2,3,4,5-Tetrachloro-6-(2,4-dichlorophenoxy)aniline
- Molecular formula
- C12H5Cl6NO
- Molecular weight
- 391.89
Names & synonyms
2,3,4,5-Tetrachloro-6-(2,4-dichlorophenoxy)aniline64630-65-5DTXSID00214882RefChem:243852DTXCID30137373NS000030052',3,4,4',5,6-Hexachlor-2-aminodiphenyletherBenzenamine, 2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)-
Database identifiers
- CAS
64630-65-5- PubChem CID
- 47447
- DTXSID
DTXSID00214882- Nikkaji
- J1.623.616K
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 419.2 · 419.2±45.0 °C(Predicted)
- Density
- 1.674 · 1.674±0.06 g/cm3(Predicted)
- pka
- -0.82 · -0.82±0.16(Predicted)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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