Basic information
- CAS
14628-81-0- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]- InChIKey
XEYNDINQFLTEIQ-UHFFFAOYSA-N- Molecular formula
- C13H6Cl4N2O4
- Average molar mass
- 396 g/mol
- Monoisotopic mass
- 393.908167
Names & identifiers
- Preferred name
- Phenol, 2-nitro-3,4,6-trichloro-, p-chlorocarbanilate
- IUPAC
- (3,4,6-trichloro-2-nitrophenyl) N-(4-chlorophenyl)carbamate
- English name
- 4-Chlorocarbanilic acid 3,4,6-trichloro-2-nitrophenyl ester
- Molecular formula
- C13H6Cl4N2O4
- Molecular weight
- 396.01
Names & synonyms
14628-81-0Phenol, 2-nitro-3,4,6-trichloro-, p-chlorocarbanilateNSC 202889BRN 29097782-Nitro-3,4,6-trichlorophenol p-chlorocarbanilate3,4,6-Trichloro-2-nitrophenyl-p-chlorocarbanilateCarbanilic acid, p-chloro-, 3,4,6-trichloro-2-nitrophenyl esterDTXSID30163339RefChem:369069DTXCID4085830Carbanilic acid, p-chloro-, 3,4,6-trichloro-2-nitrophenyl ester (8CI)(3,4,6-trichloro-2-nitrophenyl) N-(4-chlorophenyl)carbamate
Show more names
NSC-202889NSC2028894-Chlorocarbanilic acid 3,4,6-trichloro-2-nitrophenyl esterH2XS9KLK393,4,6-trichloro-2-nitrophenyl N-(4-chlorophenyl)carbamateWLN: WNR BG CG EG FOVMR DGPhenol,4,6-trichloro-, p-chlorocarbanilate2-Nitro-3,6-trichlorophenol p-chlorocarbanilate
Database identifiers
- CAS
14628-81-0- PubChem CID
- 99243
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 139 · 139-141 °C
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.692 · 1.692±0.06 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.70(Predicted)
- FDA UNII
- 2 XS9KLK39 · H2XS9KLK39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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