o-Phenoxybenzaldehyd

o-Phenoxybenzaldehyde

HCID 88060CAS 19434-34-5

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Grundinformationen

Standard-SMILES: O=Cc1ccccc1Oc1ccccc1
InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
Summenformel: C13H10O2
Durchschnittliche Molmasse: 198,22 g/mol
Monoisotopische Masse: 198,06807956

Namen und Bezeichner

Bevorzugter Name: o-Phenoxybenzaldehyde
IUPAC: 2-phenoxybenzaldehyde
Lokaler Name: o-Phenoxybenzaldehyd
Englischer Name: 2-Phenoxybenzaldehyde
Summenformel: C13H10O2
Molmasse: 198.22

Namen und Synonyme

2-phenoxybenzaldehydeo-PhenoxybenzaldehydeBenzaldehyde, 2-phenoxy-K5R9AE3HNKEINECS 243-061-0DTXSID10173057RefChem:167287DTXCID0095548243-061-019434-34-52-phenoxybenzenecarbaldehyde2-Formyldiphenyl ether

Weitere Namen anzeigen

2-Phenoxybenzaldehyde 97%

MFCD00800666phenoxybenzaldehydeMLS000326714SMR0001792672-phenoxy-benzaldehydeOpera_ID_1384UNII-K5R9AE3HNK2-Phenoxybenzaldehyde97%

Datenbank-Bezeichner

CAS: 19434-34-5
PubChem CID: 88060
DTXSID: DTXSID10173057
ChEMBL: CHEMBL1402072
UNII: K5R9AE3HNK
EC Number: 243-061-0
Nikkaji: J242.814H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

Siedepunkt: 114 °C · 114°C 0,1mm
Dichte: 1.154 · 1.154±0.06 g/cm3(Predicted)
Brechungsindex: 1.6 to · 1.6000 to 1.6040
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow
Wasserlöslichkeit: Very slightly soluble in water.
InChI: 1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1Oc2ccccc2
CAS Datenbank: 19434 · 19434-34-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (86.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2912490090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Phenoxybenzaldehyde is used as a reagent in the synthesis of chiral 1,3,4-oxadiazol-2-ones as potent and highly selective FAAH inhibitors. Also used as a reagent in the synthesis of [4-(phenoxy)pyridin-3-yl]methylamines; a new class of selective noradrenaline reuptake inhibitors (NRI).