5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
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Basic information
- CAS
1114573-41-9- 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)-one5-bromo-1-(cyclopropylmethyl)pyridin-2-oneMFCD21746683SCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850
Show more names
2(1H)-Pyridinone, 5-bromo-1-(cyclopropylmethyl)-
KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-1387135-Bromo-1-(cyclopropylmethyl)-2(1H)-pyridinone
Database identifiers
- CAS
1114573-41-9- PubChem CID
- 59635701
- EC Number
- 987-524-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromo-1-(Cyclopropylmethyl)-1,2-Dihydropyridin-2-One is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Related reactions
19 records
Compound notes
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