tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
Grundinformationen
- CAS
177750-73-1- Standard-SMILES
CC(C)(C)OC(=O)N1CCCC1CI- InChIKey
QCETXLFSWJGTAZ-UHFFFAOYSA-N- Summenformel
- C10H18INO2
- Durchschnittliche Molmasse
- 311,16 g/mol
- Monoisotopische Masse
- 311,03823
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
- Englischer Name
- tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
- Summenformel
- C10H18INO2
- Molmasse
- 311.16
Namen und Synonyme
177750-73-1tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylateDTXSID80338015RefChem:383176DTXCID10289102860-107-01-Boc-2-(Iodomethyl)pyrrolidineMFCD17214621tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate2-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL641090QCETXLFSWJGTAZ-UHFFFAOYSA-N
Weitere Namen anzeigen
N-Boc-2-(iodomethyl)pyrrolidine2-(Iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester
CHA75073NNA94522AKOS015907309AB69520AB69522AB91462DA-17302SY318736
Datenbank-Bezeichner
- CAS
177750-73-1- PubChem CID
- 545926
- DTXSID
DTXSID80338015- EC Number
- 860-107-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 213
Physikochemische Eigenschaften
- Siedepunkt
- 319 · 319.0±15.0 °C(Predicted)
- Dichte
- 1.504 · 1.504
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -2.38 · -2.38±0.40(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Chemie und Industrie
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