tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate

HCID 24730280

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Grundinformationen

CAS: 305329-97-9
Standard-SMILES: CC(C)(C)OC(=O)N1CCC(CBr)C1
InChIKey: NQNGQGISAMHLST-UHFFFAOYSA-N
Summenformel: C10H18BrNO2
Durchschnittliche Molmasse: 264,16 g/mol
Monoisotopische Masse: 263,05209

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
Englischer Name: tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
Summenformel: C10H18BrNO2
Molmasse: 264.16

Namen und Synonyme

305329-97-9tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylateDTXSID50647085RefChem:383318DTXCID70597836822-358-41-Boc-3-(bromomethyl)pyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTERMFCD064105153-Bromomethyl-pyrrolidine-1-carboxylic acid tert-butyl esterN-BOC-3-BROMOMETHYLPYRROLIDINEtert-butyl3-(bromomethyl)pyrrolidine-1-carboxylate

Weitere Namen anzeigen

1-N-Boc-3-broMoMethylpyrrolidineN-Boc-3-BromomethylpyrrolineBoc-3-Bromomethyl-pyrrolidineREF DUPL: Boc-3-Bromomethyl-pyrrolidinet-butyl-3-(bromomethyl)pyrrolidine-1-carboxylatetert-butyl 3-(brommethyl)pyrrolidine-1-carboxylate

SCHEMBL11140931-Boc-3-bromomethyl-pyrrolidineNQNGQGISAMHLST-UHFFFAOYSA-NCS-D0748AKOS015836169AB24521PB15942PB18846

Datenbank-Bezeichner

CAS: 305329-97-9
PubChem CID: 24730280
DTXSID: DTXSID50647085
EC Number: 822-358-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 213

Physikochemische Eigenschaften

Siedepunkt: 300.1 · 300.1±15.0 °C(Predicted)
Dichte: 1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.14 · -2.14±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 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.