Basic information
- CAS
111946-84-0- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1- InChIKey
KALGVWATZJIXGR-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO4
- Average molar mass
- 336.14 g/mol
- Monoisotopic mass
- 334.97932
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone
- IUPAC
- 1-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone
- English name
- CHEMBRDG-BB 5211655
- Molecular formula
- C14H10BrNO4
- Molecular weight
- 336.14
Names & synonyms
1-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone111946-84-0MFCD004285491-(4-bromophenyl)-2-(4-nitrophenoxy)ethan-1-oneZINC274631Ethanone, 1-(4-bromophenyl)-2-(4-nitrophenoxy)-ZINC00274631Cambridge id 5211655Oprea1_613889CBDivE_005582SCHEMBL6202919DTXSID20354739
Show more names
CHEMBRDG-BB 52116551-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone(SALTDATA: FREE)
STK063179AKOS001136016BS-36823ZINC000000274631DB-201018CS-02680791(4BROMOPHENYL)2(4NITROPHENOXY)ETHANONEETHANONE1(4BROMOPHENYL)2(4NITROPHENOXY)
Database identifiers
- CAS
111946-84-0- PubChem CID
- 780863
- DTXSID
DTXSID20354739
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 491.3 · 491.3±35.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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