tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate

N-Boc-2-(iodomethyl)pyrrolidine · 1-Boc-2-(iodomethyl)pyrrolidine · tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate · tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate · 2-(Iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester · 1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester

https://huagongshe.com/de/chemical/545926

Molekülstruktur von tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate

Identifikatoren & physikalische Daten

CAS No.	177750-73-1
Summenformel	C10H18INO2
Durchschnittliche Molmasse	311,16 g/mol
Monoisotopische Masse	311,03823 g/mol
SMILES	CC(C)(C)OC(=O)N1CCCC1CI
InChIKey	QCETXLFSWJGTAZ-UHFFFAOYSA-N
PubChem CID	545926
EC No.	860-107-0
DTXSID	DTXSID80338015

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	29,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	14
Formalladung	0
Komplexität	213
Siedepunkt	319.0±15.0 °C(Predicted)
Dichte	1.504
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)	-2.38±0.40(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)

GHS-Einstufung

DangerH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)