tert-Butyl 4-(2-Bromoacetyl)piperidine-1-carboxylate
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Grundinformationen
- CAS
301221-79-4- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)CBr)CC1- InChIKey
HYRSGTXIVIMOOX-UHFFFAOYSA-N- Summenformel
- C12H20BrNO3
- Durchschnittliche Molmasse
- 306,2 g/mol
- Monoisotopische Masse
- 305,06266
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 4-(2-Bromoacetyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate
- Englischer Name
- 2-bromo-1-(1-Boc-piperidin-4-yl)ethanone
- Summenformel
- C12H20BrNO3
- Molmasse
- 306.2
Namen und Synonyme
TERT-BUTYL 4-(2-BROMOACETYL)PIPERIDINE-1-CARBOXYLATERefChem:893636874-634-9301221-79-41-Boc-4-(2-bromoacetyl)piperidine2-BROMO-1-(1-BOC-PIPERIDIN-4-YL)ETHANONEMFCD11975555tert-butyl 4-(bromoacetyl)piperidine-1-carboxylateTERT-BUTYL4-(2-BROMOACETYL)PIPERIDINE-1-CARBOXYLATE1-Piperidinecarboxylic acid, 4-(bromoacetyl)-, 1,1-dimethylethyl esterSCHEMBL1002397tert-Butyl 4-(2-bromoacetyl)-piperidine-1-carboxylate
Weitere Namen anzeigen
tert-Butyl 4-(2-bromoacetyl)1-Boc-4-(2-broMo-acetyl)-piperidine4-(2-bromoacetyl)piperidine-1-carboxylate4-BroMoacetyl-1-(t-butoxycarbonyl)piperidine4-(2-BroMo-acetyl)-piperidine-1-carboxylic acid tert-butyl ester4-(2-Bromoacetyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester1-Piperidinecarboxylic acid, 4-(2-bromoacetyl)-, 1,1-dimethylethyl ester
DTXSID60592693HYRSGTXIVIMOOX-UHFFFAOYSA-NBMA22179AKOS015949196AB65079CS-W001527DS-16337SY037904
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 46,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 291
Physikochemische Eigenschaften
- Siedepunkt
- 368 ℃ · 368℃
- Dichte
- 1.336 · 1.336
- Flammpunkt
- 176 ℃ · 176℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.47 · -2.47±0.40(Predicted)
- InChI
- InChI=1S/C12H20BrNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(15)8-13/h9H,4-8H2,1-3H3
- InChIKey
- HYRSGTXIVIMOOX-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C(CBr)=O)CC1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter93 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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