1-Boc-3-bromomethylpiperidine
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Grundinformationen
- CAS
193629-39-9- Standard-SMILES
CC(C)(C)OC(=O)N1CCCC(CBr)C1- InChIKey
MGGZYACWICDRRD-UHFFFAOYSA-N- Summenformel
- C11H20BrNO2
- Durchschnittliche Molmasse
- 278,19 g/mol
- Monoisotopische Masse
- 277,06774
Namen und Bezeichner
- Bevorzugter Name
- 1-Boc-3-bromomethylpiperidine
- IUPAC
- tert-butyl 3-(bromomethyl)piperidine-1-carboxylate
- Englischer Name
- 1-BOC-3-BROMOMETHYLPIPERIDINE
- Summenformel
- C11H20BrNO2
- Molmasse
- 278.19
Namen und Synonyme
1-Boc-3-bromomethylpiperidineRefChem:430076640-604-7193629-39-9tert-butyl 3-(bromomethyl)piperidine-1-carboxylate1-Boc-3-(Bromomethyl)piperidineN-BOC-3-(BROMOMETHYL)PIPERIDINE3-Bromomethyl-piperidine-1-carboxylic acid tert-butyl esterMFCD041155391-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl esterSCHEMBL376819PB18669
Weitere Namen anzeigen
SW-121SWF-1211-Boc-3-(BromomethyL1-Boc-3-broMoMethylpiperi...1-N-BOC-3-BROMOMETHYLPIPERIDINE3-(Bromomethyl)piperidine, N-BOC protected
SY0145011-Boc-3-bromomethylpiperidine, AldrichCPR(R)-1-BOC-3-BROMOMETHYLPIPERIDINEDTXSID50941050AKOS015841619CS-W019015PB25378PB31551
Datenbank-Bezeichner
- CAS
193629-39-9- PubChem CID
- 21188531
- DTXSID
DTXSID50941050- EC Number
- 640-604-7
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 225
Physikochemische Eigenschaften
- Siedepunkt
- 318.3 · 318.3±15.0 °C(Predicted)
- Dichte
- 1.27 · 1.270
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- -2.03 · -2.03±0.40(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Light yellow
- InChI
- 1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
- InChIKey
- MGGZYACWICDRRD-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCCC(CBr)C1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): 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, 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 (100%)；Eye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 36
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Zugehörige Reaktionen
4
Notizen zur Verbindung
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