tert-Butyl (5-iodopyridin-3-yl)carbamate
Completing data — refresh the page later to see the latest
Basic information
- CAS
857266-59-2- Standard SMILES
CC(C)(C)OC(=O)Nc1cncc(I)c1- InChIKey
LJDJSMUHCDSOSH-UHFFFAOYSA-N- Molecular formula
- C10H13IN2O2
- Average molar mass
- 320.13 g/mol
- Monoisotopic mass
- 320.00217566
Names & identifiers
- Preferred name
- tert-Butyl (5-iodopyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(5-iodo-3-pyridinyl)carbamate
- English name
- t-Butyl (5-iodopyridin-3-yl)carbamate
- Molecular formula
- C10H13IN2O2
- Molecular weight
- 320.13
Names & synonyms
857266-59-2tert-butyl (5-iodopyridin-3-yl)carbamateDTXSID00672221RefChem:383067DTXCID70622970888-533-2T-BUTYL (5-IODOPYRIDIN-3-YL)CARBAMATEtert-butyl N-(5-iodopyridin-3-yl)carbamateMFCD12407799tert-butyl(5-iodopyridin-3-yl)carbamate3-(Boc-amino)-5-iodopyridineSCHEMBL13499908
Show more names
Carbamic acid, (5-iodo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
LJDJSMUHCDSOSH-UHFFFAOYSA-NAKOS015999205AS-30775tert-butyl N-(5-iodo-3-pyridyl)carbamateCS-0154408
Database identifiers
- CAS
857266-59-2- PubChem CID
- 45790100
- DTXSID
DTXSID00672221- EC Number
- 888-533-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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, 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
Loading…