4-Diethylaminobenzaldehyd

DEAB · 4-(N,N-DIETHYLAMINO)BENZALDEHYDE · P-DIETHYLAMINOBENZALDEHYDE · N,N-Diethylaminobenzaldehyde · 4-DiethyL · DEAB - NSC 8782 · AKOS BBS-00003202 · 4-Diethylaminobenzal

https://huagongshe.com/de/chemical/67114

Molekülstruktur von 4-Diethylaminobenzaldehyd

Identifikatoren & physikalische Daten

CAS No.	120-21-8
Summenformel	C11H15NO
Durchschnittliche Molmasse	177,24 g/mol
Monoisotopische Masse	177,1153641 g/mol
SMILES	CCN(CC)c1ccc(C=O)cc1
InChIKey	MNFZZNNFORDXSV-UHFFFAOYSA-N
PubChem CID	67114
ChEMBL	CHEMBL3416563
ChEBI	CHEBI:86194
EC No.	204-377-4
DTXSID	DTXSID0021963
Lokaler Name	4-Diethylaminobenzaldehyd

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	20,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	13
Formalladung	0
Komplexität	146
Endocrine Disruptors	Potential endocrine disrupting compound
Collision Cross Section	139.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0021963]
Schmelzpunkt	37-41 °C(lit.)
Siedepunkt	174 °C7 mm Hg(lit.)
Dichte	1.03 g/cm3
Brechungsindex	1.5302 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	Store below +30°C.
Löslichkeit	2.5g/linsoluble
pKa (Säurekonstante)	3.36±0.32(Predicted)
Aggregatzustand	Coarse Crystals, Chunks or Crystalline Solid
Farbe	Brown to green to black
BRN	511102
InChI	1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey	MNFZZNNFORDXSV-UHFFFAOYSA-N
SMILES	[H]C(=O)c1ccc(cc1)N(CC)CC
CAS Datenbank	120-21-8(CAS DataBase Reference)
NIST chemische Informationen	Benzaldehyde, 4-(diethylamino)-(120-21-8)
EPA chemische Informationen	Benzaldehyde, 4-(diethylamino)- (120-21-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (68.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Benzaldehyde, 4-(diethylamino)-Benzaldehyde, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (68.2%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29223990
RTECS-Nr.	CU5612850
R-Sätze (R)	36/37/38-50/53-21/22
Toxizität	mouse,LD50,intraperitoneal,700mg/kg (700mg/kg),National Technical Information Service. Vol. OTS0534444,
Gefahrensymbole	Xi,N,Xn
Sicherheitshinweise (S)	26-36-61-60-36/37
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

4-Diethylaminobenzaldehyde is used in the preparation of 5-(4-diethylamino-benzylidene)-selenazolidine-2,4-dione by using aqueous methylamine as a reagent.