1,2,4-Trichloro-5-(4-nitrophenoxy)benzene
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Basic information
- CAS
22532-68-9- Standard SMILES
O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1- InChIKey
AKQJUFWAKHZMIY-UHFFFAOYSA-N- Molecular formula
- C12H6Cl3NO3
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 316.941326
Names & identifiers
- Preferred name
- 1,2,4-Trichloro-5-(4-nitrophenoxy)benzene
- IUPAC
- 1,2,4-trichloro-5-(4-nitrophenoxy)benzene
- English name
- 2,4,5-TRICHLOROPHENYL-4-NITROPHENYL ETHER
- Molecular formula
- C12H6Cl3NO3
- Molecular weight
- 318.54
Names & synonyms
1,2,4-Trichloro-5-(4-nitrophenoxy)benzene22532-68-92,4,5-Trichlorophenyl-4'-nitrophenyl etherEINECS 245-059-5NSC 117743BRN 2004393S46T894UAKETHER, p-NITROPHENYL 2,4,5-TRICHLOROPHENYLNSC-117743DTXSID40177048Benzene, 1,2,4-trichloro-5-(4-nitrophenoxy)-4-06-00-01289 (Beilstein Handbook Reference)
Show more names
ether,p-nitrophenyl2,4,5-trichlorophenylp-Nitrophenyl(2,4,5-trichlorophenyl) ether2,4,5-Trichlorophenyl-4'-nitrophenyl ether @1000 μg/mL in Isooctane
RefChem:71545DTXCID9099539245-059-52,4,5-Trichlorophenyl 4'-nitrophenyl etherNSC117743UNII-S46T894UAK2,4,5-TRICHLOROPHENYL-4-NITROPHENYL ETHERSCHEMBL11683124
Database identifiers
- CAS
22532-68-9- PubChem CID
- 31190
- DTXSID
DTXSID40177048- UNII
- S46T894UAK
- EC Number
- 245-059-5
- Nikkaji
- J75.052B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 72 · 72-74 °C
- Boiling point
- 170 · 170-176 °C(Press: 0.25 Torr)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- FDA UNII
- 46 T894UAK · S46T894UAK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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