CAS 122234-46-2 tert-butyl N-(2-iodoethyl)carbamate (HCID 641024)

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Basic information

CAS: 122234-46-2
Standard SMILES: CC(C)(C)OC(=O)NCCI
InChIKey: AOEDOXQZANMVHL-UHFFFAOYSA-N
Molecular formula: C7H14INO2
Average molar mass: 271.1 g/mol
Monoisotopic mass: 271.00692669

Names & identifiers

Preferred name: tert-butyl N-(2-iodoethyl)carbamate
IUPAC: tert-butyl N-(2-iodoethyl)carbamate
English name: tert-Butyl 2-iodoethylcarbamate
Molecular formula: C7H14INO2
Molecular weight: 271.1

Names & synonyms

tert-butyl N-(2-iodoethyl)carbamateRefChem:895728838-367-1tert-butyl (2-iodoethyl)carbamate122234-46-2MFCD09951818Carbamic acid, N-(2-iodoethyl)-, 1,1-dimethylethyl esterTERT-BUTYL 2-IODOETHYLCARBAMATEtert-butyl(2-iodoethyl)carbamatecarbamic acid, (2-iodoethyl)-, 1,1-dimethylethyl esterC7H14INO2N-Boc-2-iodoethanamine

Show more names

2-iodo-1-(tert-butyloxycarbonyl)aminoethane(2-Iodo-ethyl)-carbaMic acid tert-butyl ester

orb3176234SCHEMBL3397668DTXSID10348849AOEDOXQZANMVHL-UHFFFAOYSA-NAKOS015830642AB55263AS-76335SY279306

Database identifiers

CAS: 122234-46-2
PubChem CID: 641024
DTXSID: DTXSID10348849
EC Number: 838-367-1
Nikkaji: J1.271.997C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 281.3 · 281.3±23.0 °C(Predicted)
Density: 1.546 · 1.546±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 11.93 · 11.93±0.46(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 260 · P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302+H312+H332-H314
Precautionary statements: P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405-P501