Basic information
- CAS
3061-36-7- Standard SMILES
c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1- InChIKey
UVGPELGZPWDPFP-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Overview
1,4-diphenoxybenzene is a diphenoxybenzene. It is functionally related to a 4-phenoxyphenol.
Names & identifiers
- Preferred name
- 1,4-Diphenoxybenzene
- IUPAC
- 1,4-diphenoxybenzene
- English name
- 1,4-Diphenoxybenzene
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
1,4-DiphenoxybenzeneBenzene, 1,4-diphenoxy-Hydroquinone diphenyl etherp-Diphenoxybenzene4-Phenoxydiphenyl oxidep-PhenoxyphenoxybenzeneBenzene, p-diphenoxy-1,1'-[1,4-phenylenebis(oxy)]dibenzeneDTXSID2062820CHEBI:392711,1'-(1,4-phenylenebis(oxy))dibenzene1,1'-(1,4-phenylenebis(oxy))dibenzene;1,4-diphenoxybenzene
Show more names
DK013DIPHENOXYBENZENETIMTEC-BB SBB0077471,4-Diphenoxybenzenee4-Phenoxydiphenyl ether
1,1'-[1,4-phenylenebis(oxy)]dibenzene;1,4-diphenoxybenzeneRefChem:73341DTXCID3038222UVGPELGZPWDPFP-UHFFFAOYSA-N3061-36-7MFCD00038368Oprea1_734594SCHEMBL122719
Database identifiers
- CAS
3061-36-7- PubChem CID
- 520487
- DTXSID
DTXSID2062820- ChEBI
CHEBI:39271
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
- 231
Physicochemical properties
- Melting point
- 73 · 73-77 °C
- Boiling point
- 172 °C · 172°C 0,01mm
- Density
- 1 · 1,083 g/cm3
- refractive index
- 1.52 · 1.5200 (estimate)
- Flash point
- 202 °C · 202°C
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 2215945 · 2215945
- InChI
- InChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
- InChIKey
- UVGPELGZPWDPFP-UHFFFAOYSA-N
- SMILES
- C1(OC2=CC=CC=C2)=CC=C(OC2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 3061 · 3061-36-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1,4-diphenoxy-(3061-36-7)
- EPA Substance Registry System
- 1 · Benzene, 1,4-diphenoxy- (3061-36-7)
- Safety Statements
- 24 · 24/25
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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 29029090
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-diphenoxy-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
4 records
Compound notes
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