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101-84-8 molecular structure
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phenoxybenzene

ChemBase ID: 89158
Molecular Formular: C12H10O
Molecular Mass: 170.2072
Monoisotopic Mass: 170.07316494
SMILES and InChIs

SMILES:
O(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)Oc1ccccc1
InChI:
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey:
USIUVYZYUHIAEV-UHFFFAOYSA-N

Cite this record

CBID:89158 http://www.chembase.cn/molecule-89158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenoxybenzene
IUPAC Traditional name
diphenyl-ether
Synonyms
1,1'-Oxydibenzene
Diphenyl ether
Phenyl ether
Diphenyl ether
Diphenyl oxide
1,1'-Oxybisbenzene
Phenoxybenzene
1,1'-Oxybis[benzene]
Barrel Therm 330
Biphenyl Oxide
Chemcryl JK-EB
Diphenyl Ether
NSC 19311
Oxybisbenzene
Phenyl Oxide
Phenyl Ether
联苯醚
苯醚
二苯醚
CAS Number
101-84-8
EC Number
202-981-2
MDL Number
MFCD00003034
Beilstein Number
1364620
Merck Index
147288
PubChem SID
24901840
24854438
162076042
24898325
PubChem CID
7583
CHEBI ID
39258
CHEMBL
38934
Chemspider ID
7302
FEMA ID
3667
Unique Ingredient Identifier
3O695R5M1U
Wikipedia Title
Diphenyl_ether
Council of Europe Number
2201
Flavis Number
4.035

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.473533  LogD (pH = 7.4) 3.473533 
Log P 3.473533  Molar Refractivity 52.2988 cm3
Polarizability 20.709755 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Apperance
Colorless solid or liquid with a geranium-like odor expand Show data source
Melting Point
25–26 °C expand Show data source
25-27 °C(lit.) expand Show data source
25-27°C expand Show data source
26-29°C expand Show data source
27-29 °C expand Show data source
Boiling Point
121 °C at 1.34 kPa (10.05 mm Hg), 258 °C at 100 kPa (1 bar) expand Show data source
258-260°C expand Show data source
258-260°C expand Show data source
259 °C(lit.) expand Show data source
Flash Point
115 °C expand Show data source
115°C expand Show data source
115 °C (388.15 K) expand Show data source
125°C(257°F) expand Show data source
239 °F expand Show data source
Auto Ignition Point
1144 °F expand Show data source
Density
1.071 expand Show data source
1.073 expand Show data source
1.073 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5805 expand Show data source
n20/D 1.579(lit.) expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
Vapor Density
>5.86 (25 °C, vs air) expand Show data source
Organoleptic
geranium; green expand Show data source
Storage Warning
Irritant/Corrosive expand Show data source
RTECS
KN8970000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3077 expand Show data source
UN3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
36-51/53 expand Show data source
41-51/53 expand Show data source
Safety Statements
26-39-60-61 expand Show data source
26-57-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
2
expand Show data source
Explode Limits
1.5 % expand Show data source
GHS Hazard statements
H318 expand Show data source
H319-H303-H401-H411 expand Show data source
GHS Precautionary statements
P280-P273-P305+P351+P338-P312-P337+P313-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Gene Information
human ... TTR(7276) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98.0% expand Show data source
≥99% expand Show data source
≥99.9% expand Show data source
≥99.9% (GC) expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Selectophore™ expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5)2O expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 240834 external link
Packaging
5, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - W366706 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum
Sigma Aldrich - 67334 external link
Application
Used as plasticizing solvent mediator for PVC-based membranes1.
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH
Sigma Aldrich - P24101 external link
Packaging
1, 3 kg in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Toronto Research Chemicals - P321330 external link
Phenyl Ether is an impurity of Propofol (P829750).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bahri, M., et al.: Biophys. Chem., 129, 82 (2007)
  • • Foti, M., et al.: J. Pharm. Pharmacol., 59, 1673 (2007)
  • • Vasileiou, I., et al.: Eur. J. Pharmacol., 605, 1 (2007)
  • • Useful reaction medium for high-temperature reactions, e.g. cyclizations and decarboxylations.
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PATENTS

PATENTS

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INTERNET

INTERNET

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