1-(4-Bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
Basic information
- CAS
1744-23-6- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1- InChIKey
MZXHTXIJHDDHNC-UHFFFAOYSA-N- Molecular formula
- C13H7BrF3NO3
- Average molar mass
- 362.1 g/mol
- Monoisotopic mass
- 360.95614
Names & identifiers
- Preferred name
- 1-(4-Bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
- IUPAC
- 1-(4-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
- English name
- 4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenylether
- Molecular formula
- C13H7BrF3NO3
- Molecular weight
- 362.0987896
Names & synonyms
1744-23-61-(4-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyletherDTXSID201215890AKOS008922832
Database identifiers
- CAS
1744-23-6- PubChem CID
- 39058288
- DTXSID
DTXSID201215890
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 46 · 46-47°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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