N,N-Diethyl-2-hydroxybenzamid

Diethylsalicylamide

HCID 88006CAS 19311-91-2

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Grundinformationen

Standard-SMILES: CCN(CC)C(=O)c1ccccc1O
InChIKey: ZVYXEXAXXWINEH-UHFFFAOYSA-N
Summenformel: C11H15NO2
Durchschnittliche Molmasse: 193,24 g/mol
Monoisotopische Masse: 193,11027872

Namen und Bezeichner

Bevorzugter Name: Diethylsalicylamide
IUPAC: N,N-diethyl-2-hydroxybenzamide
Lokaler Name: N,N-Diethyl-2-hydroxybenzamid
Englischer Name: N,N-Diethylsalicylamide
Summenformel: C11H15NO2
Molmasse: 193.24

Namen und Synonyme

N,N-DiethylsalicylamideN,N-Diethyl-2-hydroxybenzamidediethylsalicylamide2-hydroxy-N,N-diethylbenzamideBRN 2835473AI3-33468UNII-HG05MO88TLEINECS 242-955-8HG05MO88TLDTXSID20172915DIETHYLSALICYLAMIDE [MART.]4-10-00-00170 (Beilstein Handbook Reference)

Weitere Namen anzeigen

n,n-diethyl-salicylamid

DIETHYLSALICYLAMIDE (MART.)RefChem:133524DTXCID1095406ZVYXEXAXXWINEH-UHFFFAOYSA-N19311-91-2Benzamide, N,N-diethyl-2-hydroxy-SalicyldiethylamideSalicylamide, N,N-diethyl-

Datenbank-Bezeichner

CAS: 19311-91-2
PubChem CID: 88006
DTXSID: DTXSID20172915
UNII: HG05MO88TL
EC Number: 242-955-8
Nikkaji: J48.300A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-97 °C (lit.)
Siedepunkt: 340 ℃ · 340℃
Dichte: 1.096 · 1.096
Brechungsindex: 1.508 · 1.5080 (estimate)
Flammpunkt: 159 ℃ · 159℃
storage temp.: Sealed in dry,Room Temperature
pka: 8.73 · 8.73±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to tan
InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3
InChIKey: ZVYXEXAXXWINEH-UHFFFAOYSA-N
SMILES: C(N(CC)CC)(=O)C1=CC=CC=C1O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2924297099
RTECS-Nr.: VN7320000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

VerwendenN,N-Diethylsalicylamide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.