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3379-38-2 molecular structure
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1,3-diphenoxybenzene

ChemBase ID: 147170
Molecular Formular: C18H14O2
Molecular Mass: 262.30256
Monoisotopic Mass: 262.09937969
SMILES and InChIs

SMILES:
c1ccc(cc1)Oc1cccc(c1)Oc1ccccc1
Canonical SMILES:
c1cc(cc(c1)Oc1ccccc1)Oc1ccccc1
InChI:
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:
JTNRGGLCSLZOOQ-UHFFFAOYSA-N

Cite this record

CBID:147170 http://www.chembase.cn/molecule-147170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-diphenoxybenzene
IUPAC Traditional name
1,3-diphenoxybenzene
Synonyms
Resorcinol diphenyl ether
1,3-Diphenoxybenzene
间苯二酚二苯醚
1,3-联苯氧基苯
1,3-二苯氧基苯
CAS Number
3379-38-2
EC Number
222-181-7
MDL Number
MFCD00003036
Beilstein Number
2054179
PubChem SID
24853919
162241361
PubChem CID
76911

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76911 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.97382  LogD (pH = 7.4) 4.97382 
Log P 4.97382  Molar Refractivity 78.5396 cm3
Polarizability 31.033485 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59-61 °C(lit.) expand Show data source
59-61°C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
99% expand Show data source
Linear Formula
C6H5OC6H4OC6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 232637 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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