3-(2,4-Dichlorophenoxy)-5-nitrobenzenamine
Basic information
- CAS
208122-62-7- Standard SMILES
Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1- InChIKey
OHVHXQWQOYYKMQ-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2N2O3
- Average molar mass
- 299.11 g/mol
- Monoisotopic mass
- 297.9911975
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorophenoxy)-5-nitrobenzenamine
- IUPAC
- 3-(2,4-dichlorophenoxy)-5-nitroaniline
- English name
- 3-(2,4-dichlorophenoxy)-5-nitroaniline
- Molecular formula
- C12H8Cl2N2O3
- Molecular weight
- 299.11
Names & synonyms
3-(2,4-dichlorophenoxy)-5-nitroaniline208122-62-7DTXSID9012646123-(2,4-Dichlorophenoxy)-5-nitrobenzenamineRefChem:490024DTXCID801695278959-518-93-(2,4-Dichloro-phenoxy)-5-nitro-phenylamine5-(2,4-dichlorophenoxy)-3-nitrophenylamineMFCD03422522IIA12262SBB020881
Show more names
Benzenamine, 3-(2,4-dichlorophenoxy)-5-nitro-
STK313025AKOS0003087433-(2,4-dichlorophenoxy)-5-nitro-anilineCS-0268830ST45092191EN300-228673
Database identifiers
- CAS
208122-62-7- PubChem CID
- 7019288
- DTXSID
DTXSID901264612- EC Number
- 959-518-9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 429.2 · 429.2±45.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 1.56 · 1.56±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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