tert-Butyl 3-iodobenzylcarbamate

HCID 11645663CAS 263351-43-5

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NCc1cccc(I)c1
InChIKey: JWXVKTCSHBWQRQ-UHFFFAOYSA-N
Molecular formula: C12H16INO2
Average molar mass: 333.16 g/mol
Monoisotopic mass: 333.02258

Names & identifiers

Preferred name: tert-Butyl 3-iodobenzylcarbamate
IUPAC: tert-butyl N-[(3-iodophenyl)methyl]carbamate
English name: (3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
Molecular formula: C12H16INO2
Molecular weight: 333.17

Names & synonyms

tert-Butyl 3-iodobenzylcarbamate263351-43-5DTXSID00469976RefChem:383412DTXCID50420794Tert-butyl N-[(3-iodophenyl)methyl]carbamate(3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTERMFCD09032539tert-Butyl (3-iodobenzyl)carbamateCarbamic acid, N-[(3-iodophenyl)methyl]-, 1,1-dimethylethyl estertert-Butyl3-iodobtert-Butyl3-iodobenzylcarbamate

Show more names

1,1-Dimethylethyl N-[(3-iodophenyl)methyl]carbamate

SCHEMBL2184472SCHEMBL30732561tert-butyl-3-iodobenzylcarbamatetert-butyl(3-iodobenzyl)carbamateJWXVKTCSHBWQRQ-UHFFFAOYSA-NN-Boc-1-(3-iodophenyl)methanamineAKOS015964716DS-9013

Database identifiers

CAS: 263351-43-5
PubChem CID: 11645663
DTXSID: DTXSID00469976
EC Number: 808-764-4
Nikkaji: J1.237.724J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 238

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.