O-(tert-Butyldimethylsilyl)hydroxylamine

HCID 4691350CAS 41879-39-4

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Grundinformationen

Standard-SMILES: CC(C)(C)[Si](C)(C)ON
InChIKey: SSUCKKNRCOFUPT-UHFFFAOYSA-N
Summenformel: C6H17NOSi
Durchschnittliche Molmasse: 147,29 g/mol
Monoisotopische Masse: 147,1079407

Namen und Bezeichner

Bevorzugter Name: O-(tert-Butyldimethylsilyl)hydroxylamine
IUPAC: O-[tert-butyl(dimethyl)silyl]hydroxylamine
Englischer Name: O-(tert-Butyldimethylsilyl)hydroxylamine
Summenformel: C6H17NOSi
Molmasse: 147.29

Namen und Synonyme

O-(tert-Butyldimethylsilyl)hydroxylamine41879-39-4DTXSID00405612RefChem:366311DTXCID70356465623-284-3O-[tert-butyl(dimethyl)silyl]hydroxylamineAminoxy-tert-butyldimethylsilaneMFCD00054944O-(t-butyldimethylsilyl)hydroxylamineH2N-OTBSTBS-ONH2

Weitere Namen anzeigen

DK016AKOS 91557tert-Butyldimethylsilyloxyamine.OtertButyldiemthylsilylhydroxylamineO-(tert-Butyldimethylsilyl)hydroxylamine 95%o-(tert-butyldimethylsilyl)hydroxylamine, 95

O-(tert-Butyldiemthylsilyl)hydroxylamineSCHEMBL314434o-t-butyldimethylsilyl hydroxylamineO-tert-butyldimethylsilylhydroxylamineo-(t-Butyldimethylsilyl)hydroxyl-amineAS-79127CS-0343137F87305

Datenbank-Bezeichner

CAS: 41879-39-4
PubChem CID: 4691350
DTXSID: DTXSID00405612
ChEMBL: CHEMBL4174906
EC Number: 623-284-3
Nikkaji: J1.867.217K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-65 °C (lit.)
Siedepunkt: 87 · 87-90 °C/40 mmHg (lit.)
Dichte: 0.849 · 0.849±0.06 g/cm3(Predicted)
Flammpunkt: 54 °C · 54°C
storage temp.: 2 · 2-8°C
Löslichkeit: freely sol hexane, chloroform, and most organic solvents; insol water.
pka: 4.75 · 4.75±0.70(Predicted)
Aggregatzustand: solid
Wasserlöslichkeit: Hydrolyzes in water.
BRN: 2424306 · 2424306
InChI: InChI=1S/C6H17NOSi/c1-6(2,3)9(4,5)8-7/h7H2,1-5H3
InChIKey: SSUCKKNRCOFUPT-UHFFFAOYSA-N
SMILES: NO[Si](C(C)(C)C)(C)C
CAS Datenbank: 41879 · 41879-39-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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 CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2 (89.1%)；STOT SE 3 (89.1%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: No
ridadr: UN 3259 8/PG 2
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenO-(tert-Butyldimethylsilyl)hydroxylamine (tert-butyldimethylsilyl-O-hydroxylamine)is used to induce the cleavage, during solid supported synthesis of hydroxamic acids. It also finds it uses as a chemical additive and an intermediate.

Darstellung · 1 Eintrag

synthetischethe reagents are most conveniently prepared by treatment of hydroxylamine hydrochloride with ethylenediamine in dichloromethane, followed by the appropriate chlorosilane.A two-step procedure using ammonia in place of ethylenediamine has also been reported.