α-Phenylpyridin-2-acetamid

α-Phenyl-2-pyridineacetamide · SC 16571 · NSC 62572 · Ritalin Impurity 18 · Dopamine Impurity 47 · PHENYLPYRIDYLACETAMIDE · PHENYL-(2-PYRIDYL)ACETAMIDE · a-Phenyl-2-pyridineacetamide

https://huagongshe.com/de/chemical/97964

Molekülstruktur von α-Phenylpyridin-2-acetamid

Identifikatoren & physikalische Daten

CAS No.	7251-52-7
Summenformel	C13H12N2O
Durchschnittliche Molmasse	212,25 g/mol
Monoisotopische Masse	212,09496301 g/mol
SMILES	NC(=O)C(c1ccccc1)c1ccccn1
InChIKey	PYAPITOPBTXXNJ-UHFFFAOYSA-N
PubChem CID	97964
EC No.	230-663-3
Lokaler Name	α-Phenylpyridin-2-acetamid

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	56
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	236
Schmelzpunkt	136 °C
Siedepunkt	404.8±40.0 °C(Predicted)
Dichte	1.178±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	15.48±0.50(Predicted)
Farbe	White to Off-White
InChI	InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
InChIKey	PYAPITOPBTXXNJ-UHFFFAOYSA-N
SMILES	C(C(=O)N)(C1=NC=CC=C1)C1C=CC=CC=1
LogP (Verteilungskoeffizient)	0.59
CAS Datenbank	7251-52-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 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.
Regulatorische Informationen	Status: Active Update: 10-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16896
Hazard Classes and Categories	Acute Tox. 4 (83.3%)Skin Irrit. 2 (16.7%)Eye Irrit. 2 (16.7%)
UN-Transportnummer	UN 2811 6.1 / PGIII
Zollcode	2933.39.9200
Lagerklasse	6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Gefahrenklasse	Acute Tox. 3 Oral

Anwendungen & Verwendung

Verwenden

α-Phenyl-2-pyridineacetamide (cas# 7251-52-7) is a compound useful in organic synthesis.