tert-Butyl (5-iodopyridin-3-yl)carbamate

HCID 45790100CAS 857266-59-2
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.1
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

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

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, 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

Suppliers11 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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