Basic information
- CAS
14003-37-3- Standard SMILES
CC(=O)Cc1nc2ccccc2[nH]c1=O- InChIKey
UVTUSDIBTPDTDI-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 1-(3-Hydroxy-quinoxalin-2-YL)-propan-2-one
- IUPAC
- 3-(2-oxopropyl)-1H-quinoxalin-2-one
- English name
- 1-(3-Hydroxy-quinoxalin-2-yl)-propan-2-one
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
1-(3-HYDROXY-QUINOXALIN-2-YL)-PROPAN-2-ONERefChem:423886683-575-614003-37-33-(2-oxopropyl)quinoxalin-2(1H)-one1-(3-hydroxyquinoxalin-2-yl)propan-2-one3-(2-oxopropyl)-1H-quinoxalin-2-one2(1H)-Quinoxalinone, 3-(2-oxopropyl)-3-(2-oxopropyl)-1,2-dihydroquinoxalin-2-oneF2185-0193NSC99074SCHEMBL6842955
Show more names
3-acetonyl-1H-quinoxalin-2-one3-acetonyl-2(1H)-quinoxalinoneDTXSID60930697SMSSF-05337232-acetylmethyl-3-hydroxyquinoxalineALBB-035261MFCD02158159NSC-99074
Database identifiers
- CAS
14003-37-3- PubChem CID
- 264153
- DTXSID
DTXSID60930697- EC Number
- 683-575-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 257 °C · 257 °C(Solv: ethanol (64-17-5))
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 9.43 · 9.43±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H301-H335-H318-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
VITAS-BB—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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