1,3-Diphenoxybenzene
Basic information
- CAS
3379-38-2- Standard SMILES
c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1- InChIKey
JTNRGGLCSLZOOQ-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Overview
1,3-diphenoxybenzene is a diphenoxybenzene. It is functionally related to a 3-phenoxyphenol.
Names & identifiers
- Preferred name
- 1,3-Diphenoxybenzene
- IUPAC
- 1,3-diphenoxybenzene
- English name
- 1,3-Diphenoxybenzene
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
1,3-DiphenoxybenzeneBenzene, 1,3-diphenoxy-m-Diphenyloxybenzenem-Phenoxyphenoxybenzene1,1'-[1,3-phenylenebis(oxy)]dibenzeneEINECS 222-181-7CHEBI:39273DTXSID20630041,1'-(1,3-phenylenebis(oxy))dibenzene1,1'-(1,3-phenylenebis(oxy))dibenzene;1,3-diphenoxybenzene1,1'-[1,3-phenylenebis(oxy)]dibenzene;1,3-diphenoxybenzenemDiphenoxybenzene
Show more names
DK745m-3F2E1,3-diphenoxy-benzen1,3-Diphenoxybenzene>m-PhenoxyphenoxybenzeneResorcinoldiphenylether
Benzene, 1,3diphenoxyRefChem:414956DTXCID00387503379-38-2m-DiphenoxybenzeneBenzene, m-diphenoxy-MFCD00003036ChemDiv3_000025
Database identifiers
- CAS
3379-38-2- PubChem CID
- 76911
- DTXSID
DTXSID2063004- ChEBI
CHEBI:39273- EC Number
- 222-181-7
- Nikkaji
- J104.975E
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesDielectric constant
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 59 · 59-61 °C(lit.)
- Boiling point
- 189 °C · 189 °C / 2mmHg
- Density
- 1.1113 · 1.1113 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystals or Crystalline Powder
- color
- White
- BRN
- 2054179 · 2054179
- InChI
- 1S/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Phenyl ether.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-diphenoxy-: ACTIVE
Applications
Uses1,3-Diphenoxybenzene was used:as internal standard during solid-phase extraction and gas chromatography coupled mass spectrometry in the selective ion monitoring (SIM) mode for the multi-class determination of pesticidesin the synthesis of new carboxylate ligands for simulation of binuclear active centres of nonheme oxygenases
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 1,3-diphenoxybenzene is a diphenoxybenzene. It is functionally related to a 3-phenoxyphenol.
Related reactions
3 records
Compound notes
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