tert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamate

HCID 21068467CAS 672324-82-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)Nc1cc(CCl)ccn1
InChIKey: HMQFDFGFYVYALU-UHFFFAOYSA-N
Molecular formula: C11H15ClN2O2
Average molar mass: 242.7 g/mol
Monoisotopic mass: 242.0822054

Names & identifiers

Preferred name: tert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamate
IUPAC: tert-butyl N-[4-(chloromethyl)-2-pyridinyl]carbamate
English name: tert-Butyl (4-(chloroMethyl)pyridin-2-yl)carbaMate
Molecular formula: C11H15ClN2O2
Molecular weight: 242.702

Names & synonyms

tert-butyl N-[4-(chloromethyl)pyridin-2-yl]carbamatetert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamateRefChem:896064870-025-7672324-82-2tert-Butyl (4-(chloromethyl)pyridin-2-yl)carbamateMFCD13188961tert-butyl(4-(chloromethyl)pyridin-2-yl)carbamatetert-butyl [4-(chloromethyl)pyridin-2-yl]carbamateSCHEMBL12953977DTXSID10610432HMQFDFGFYVYALU-UHFFFAOYSA-N

Show more names

XBB32482AB67460N-Boc-4-(chloromethyl)pyridin-2-amine2-(Boc-amino)-4-(chloromethyl)pyridineSY205223DB-361581EN300-251330F94649

Database identifiers

CAS: 672324-82-2
PubChem CID: 21068467
DTXSID: DTXSID10610432
EC Number: 870-025-7

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 241

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H335-H314
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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): GHS07,GHS05
Hazard statements: H302-H335-H314
Precautionary statements: P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501