CAS 342025-41-6 2-[4-(Chloromethyl)-1,3-thiazol-2-yl]pyridine (HCID 2120100)

Substructure search Find similar structures

Basic information

CAS: 342025-41-6
Standard SMILES: ClCc1csc(-c2ccccn2)n1
InChIKey: VQPIMZRQQCTIHE-UHFFFAOYSA-N
Molecular formula: C9H7ClN2S
Average molar mass: 210.68 g/mol

Names & identifiers

Preferred name: 2-[4-(Chloromethyl)-1,3-thiazol-2-yl]pyridine
IUPAC: 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole
English name: 4-(chloromethyl)-2-(pyridin-2-yl)thiazole
Molecular formula: C9H7ClN2S
Molecular weight: 210.68

Names & synonyms

2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyridine342025-41-62-(4-(chloromethyl)-1,3-thiazol-2-yl)pyridineRefChem:456435987-893-94-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole4-(chloromethyl)-2-(pyridin-2-yl)thiazoleSCHEMBL1893656VQPIMZRQQCTIHE-UHFFFAOYSA-NSNA025414-Chloromethyl-2-(2-pyridyl)thiazoleAKOS000117433

Show more names

Pyridine, 2-[4-(chloromethyl)-2-thiazolyl]-

4-(chloromethyl)-2-(2-pyridyl)thiazoleDB-1946784-chloromethyl-2-(2-pyridyl)-1,3-thiazoleCS-0221710EN300-09851G448054-(Chloromethyl)-2-(pyridin-2-yl)thiazole, 97%

Database identifiers

CAS: 342025-41-6
PubChem CID: 2120100
EC Number: 987-893-9

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 378.4 · 378.4±45.0 °C(Predicted)
Density: 1.33 · 1.330±0.06 g/cm3(Predicted)
pka: 0.84 · 0.84±0.19(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

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.