Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate

HCID 10753243CAS 141699-58-3

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)C1
InChIKey: XXBDTKYKFFIAEY-UHFFFAOYSA-N
Summenformel: C9H17NO5S
Durchschnittliche Molmasse: 251,3 g/mol
Monoisotopische Masse: 251,08274364

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
IUPAC: tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate
Englischer Name: 1-(Tert-butoxycarbonyl)-3-(methanesulfonyloxy)azetidine
Summenformel: C9H17NO5S
Molmasse: 251.3

Namen und Synonyme

tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylateRefChem:893121676-276-7141699-58-31-Boc-3-Methanesulfonyloxyazetidinetert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate1-(TERT-BUTOXYCARBONYL)-3-(METHANESULFONYLOXY)AZETIDINEMFCD05664832Tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylateC9H17NO5SN-Boc-3-methanesulfonyloxyazetidinetert-butyl 3-((methylsulfonyl)oxy)azetidine-1-carboxylate

Weitere Namen anzeigen

1-Boc-3-(mesyloxy)azetidine1-Boc-3-methanesulfonyloxy-azetidineN-Boc 3-(Methylsulfonyloxy)azetidine1-N-BOC-3-METHANESULFONYLOXYAZETIDINE1-(tert-Butoxycarbonyl)-3-(mesyloxy)azetidine1-(tert-butoxycarbonyl)azetidine-3-yl-methanesulfonatetert-Butyl 3-[(methylsulfonyl)oxy]azetane-1-carboxylate

tert-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylateAKOS005069292PB15811B5801EN300-652141-t-butoxycarbonyl-3-(methanesulfonyloxy)azetidinet-butyl 3-[(methylsulfonyl)oxy]azetidine-1-carboxylatetert-butyl 3-[(methylsulfonyl)oxy]-1-azetidinecarboxylate

Datenbank-Bezeichner

CAS: 141699-58-3
PubChem CID: 10753243
DTXSID: DTXSID40444444
EC Number: 676-276-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 81,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 358

Physikochemische Eigenschaften

Schmelzpunkt: 69 °C · 69 °C
Siedepunkt: 378.5 · 378.5±31.0 °C(Predicted)
Dichte: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -4.18 · -4.18±0.40(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3
InChIKey: XXBDTKYKFFIAEY-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(OS(C)(=O)=O)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (75%)

Sicherheitsdaten

ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 25
hazard_code: T
safety_code: 45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral