5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

HCID 59635701CAS 1114573-41-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1ccc(Br)cn1CC1CC1
InChIKey: LYJAMRBVRNCRMA-UHFFFAOYSA-N
Molecular formula: C9H10BrNO
Average molar mass: 228.09 g/mol
Monoisotopic mass: 226.99458

Names & identifiers

Preferred name: 5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
IUPAC: 5-bromo-1-(cyclopropylmethyl)pyridin-2-one
English name: 5-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one
Molecular formula: C9H10BrNO
Molecular weight: 228.09

Names & synonyms

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one1114573-41-9RefChem:532745987-524-15-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-oneMFCD217466835-bromo-1-(cyclopropylmethyl)pyridin-2-oneSCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850

Show more names

5-Bromo-1-(cyclopropylmethyl)-2(1H)-pyridinone2(1H)-Pyridinone, 5-bromo-1-(cyclopropylmethyl)-

KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-138713F476211

Database identifiers

CAS: 1114573-41-9
PubChem CID: 59635701
EC Number: 987-524-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 266

Physicochemical properties

Boiling point: 319.1 · 319.1±35.0 °C(Predicted)
Density: 1.631 · 1.631±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -0.62 · -0.62±0.70(Predicted)
Appearance: Light yellow to light brown Solid
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 · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.