Gold's Reagent

HCID 11008255CAS 20353-93-9

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Grundinformationen

Standard-SMILES: CN(C)C=NC=[N+](C)C.[Cl-]
InChIKey: DEIBXAPEZDJDRC-UHFFFAOYSA-M
Summenformel: C6H14ClN3
Durchschnittliche Molmasse: 163,65 g/mol
Monoisotopische Masse: 163,08762513

Namen und Bezeichner

Bevorzugter Name: Gold's Reagent
IUPAC: (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride
Englischer Name: (DIMETHYLAMINOMETHYLENE-AMINOMETHYLENE)DIMETHYLAMMONIUM CHLORIDE
Summenformel: C6H14ClN3
Molmasse: 163.65

Namen und Synonyme

Gold's ReagentRefChem:782603627-641-420353-93-9({[(dimethylamino)methylidene]amino}methylidene)dimethylazanium chloride[3-(Dimethylamino)-2-azaprop-2-en-1-ylidene]dimethylammonium chlorideN-((((Dimethylamino)methylene)amino)methylene)-N-methylmethanaminium chlorideMFCD00011793bis(dimethylaminomethylidene)azanium;chloride(dimethylaminomethylene-aminomethylene)dimethylammonium chloride(Dimethylaminomethyleneaminomethylene)dimethylammonium chloride(([(Dimethylamino)methylidene]amino)methylidene)dimethylazanium chloride

Weitere Namen anzeigen

Gold'sReagent>Gold's Reagent 95%Gold′s Reagent, CAS 20353-93-9

ST51038132[[[(Dimethylamino)methylene]amino]methylene]dimethylammonium Chloridegold'SGold inverted exclamation mark s ReagentGold's Reagent 95%SCHEMBL296458SCHEMBL296459SCHEMBL27861214

Datenbank-Bezeichner

CAS: 20353-93-9
PubChem CID: 11008255
DTXSID: DTXSID20451631
EC Number: 627-641-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 106

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-102 °C (lit.)
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKey: DEIBXAPEZDJDRC-UHFFFAOYSA-M
SMILES: N(C)(C)/C=N/C=[N+](/C)\C.[Cl-]

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 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 CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2925.29.9000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenGold′s Reagent was used in the synthesis of 4-hydroxyquinazoline by reacting with ortho aminobenzoic acids.

Verwenden[[[(Dimethylamino)methylene]amino]methylene]dimethylammonium Chloride is a β-dimethylaminomethylenating agent for ketones and amines; yields enamino derivatives of esters and lactones; converts Grignard reagents to aldehydes.