4-(Chloromethyl)-1-methyl-1,2-dihydropyridin-2-one

HCID 39871007

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Basic information

CAS: 177550-41-3
Standard SMILES: Cn1ccc(CCl)cc1=O
InChIKey: QBJRHHYKYWPOEL-UHFFFAOYSA-N
Molecular formula: C7H8ClNO
Average molar mass: 157.6 g/mol
Monoisotopic mass: 157.0294416

Names & identifiers

Preferred name: 4-(Chloromethyl)-1-methyl-1,2-dihydropyridin-2-one
IUPAC: 4-(chloromethyl)-1-methylpyridin-2-one

Names & synonyms

4-(chloromethyl)-1-methyl-1,2-dihydropyridin-2-one177550-41-3RefChem:515522841-187-64-(chloromethyl)-1-methylpyridin-2-oneMFCD118579734-(chloromethyl)-1-methylpyridin-2(1H)-oneSCHEMBL8389051QBJRHHYKYWPOEL-UHFFFAOYSA-NAKOS006222126AT193024-(chloromethyl)-1-methyl-pyridin-2-one

Show more names

BS-13278DA-22282SY178104EN300-42863Z431950928

Database identifiers

CAS: 177550-41-3
PubChem CID: 39871007
EC Number: 841-187-6

Properties

Computed structural propertiesFilling in

XLogP: 0.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 208

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.