2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-

HCID 84197CAS 14098-44-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
c1ccc2c(c1)OCCOCCOCCOCCO2
InChIKey
FNEPSTUXZLEUCK-UHFFFAOYSA-N
Summenformel
C14H20O5
Durchschnittliche Molmasse
268,3 g/mol
Monoisotopische Masse
268,13107374

Überblick

Benzo-15-crown-5 is a crown ether that is 15-crown-5 ortho-fused to a benzene ring.

Namen und Bezeichner

Bevorzugter Name
1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-
IUPAC
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
Lokaler Name
2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
Englischer Name
Benzo-15-crown-5
Summenformel
C14H20O5
Molmasse
268.31

Namen und Synonyme

Benzo-15-crown-514098-44-3Monobenzo-15-crown-5Benzyl 15-crown-51,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-Benzo15C5Denzo15C52,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecinCCRIS 3608Benzo[6]1,4,7,10,13-pentaoxacyclopentadecaneBRN 1624106
Weitere Namen anzeigen
2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecineBenzene-15-Crown-5Benzo-15-crown-5,99%Benzo-15-crown-5,97%2,3-Benzo-15-crown-5Benzo-15-crown-5,>98%
EINECS 237-947-6NSC 175877CHEBI:37444DTXSID70161511benzo(6)1,4,7,10,13-pentaoxacyclopentadecaneRefChem:415810DTXCID6084002237-947-6

Datenbank-Bezeichner

CAS
14098-44-3
PubChem CID
84197
DTXSID
DTXSID70161511
ChEMBL
CHEMBL158353
ChEBI
CHEBI:37444
EC Number
237-947-6
Nikkaji
J151.265J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
46,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature
LogP0.91

Physikochemische Eigenschaften

Schmelzpunkt
78 · 78-80 °C (lit.)
Siedepunkt
371.47 °C · 371.47°C (rough estimate)
Dichte
1.1846 · 1.1846 (rough estimate)
Brechungsindex
1.4825 · 1.4825 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Aggregatzustand
Powder or Flakes

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F
3-10
wgk
3
hs_code
29329995
RTECS-Nr.
DI5400000
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBenzo-15-crown-5 is used in synthetic chemistry. It plays a major role and involved in complexation through ether oxygen. It is used in phase-transfer catalyst system. It is involved in 'Host-Guest' chemistry to identify the move of essential elements in the body. It can play the part of very complicated biological reactions such as enzyme functions, which finds application in the development of new pharmaceuticals.

Darstellung · 1 Eintrag

synthetischesynthesis of Benzo-15-crown-5: benzo-15-crown-5 can be produced using Williamson synthesis reaction, featured by interaction between catechol (orto-dihydroxybenzene) and tetraethylene glycol dichloride (1,10-dichloro-3,6,9-trioxadecane) over sodium hydroxide in the n-butanol media (30-h inertatmosphere boiling). The yield of benzo-15-crown-5 produced by this method is 62%, with the basic substance's mass fraction of 95%.Production of Macrocyclic Polyether Benzo-15-Crown-5 and its Functional Derivatives

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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