1-Bromo-4-(4-nitrophenoxy)benzene
Basic information
- CAS
21969-04-0- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)cc1- InChIKey
MGYQHRSVAWPHIL-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO3
- Average molar mass
- 294.1 g/mol
- Monoisotopic mass
- 292.96876
Names & identifiers
- Preferred name
- 1-Bromo-4-(4-nitrophenoxy)benzene
- IUPAC
- 1-(4-bromophenoxy)-4-nitrobenzene
- English name
- 1-Bromo-4-(4-nitrophenoxy)benzene
- Molecular formula
- C12H8BrNO3
- Molecular weight
- 294.1
Names & synonyms
1-bromo-4-(4-nitrophenoxy)benzene21969-04-01-(4-bromophenoxy)-4-nitrobenzeneMFCD00222614NSC78381NCIOpen2_004287SCHEMBL5462352DTXSID40291814WAA96904NSC-78381STK2675591-(4-bromophenoxy)-4-nitro-benzene
Show more names
AKOS000202008Benzene, 1-bromo-4-(4-nitrophenoxy)-BS-27773DB-111236CS-0320675EU-0033428F87857F237224
Database identifiers
- CAS
21969-04-0- PubChem CID
- 254262
- DTXSID
DTXSID40291814- Nikkaji
- J2.209.069K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909309090 · 2909309090
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
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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