4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride

https://huagongshe.com/en/chemical/2723612

Identifiers & Physical Properties

CAS No.	51304-61-1
Molecular formula	C11H13Cl2N
Average molar mass	230.13 g/mol
Monoisotopic mass	229.04250478 g/mol
SMILES	Cl.Clc1ccc(C2=CCNCC2)cc1
InChIKey	NGDJUNABWNTULX-UHFFFAOYSA-N
PubChem CID	2723612
ChEMBL	CHEMBL2011566
EC No.	257-126-6
DTXSID	DTXSID20199304

Chemical & Physical Properties

Topological polar surface area	12
Hydrogen bond donors	2
Hydrogen bond acceptors	1
Rotatable bonds	1
Heavy atoms	14
Formal charge	0
Complexity	192

Safety & Regulations

GHS classification	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)

GHS classification

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (100%)