Basic information
- CAS
28082-86-2- Standard SMILES
Cc1cc2nc(C)c(=O)[nH]c2cc1C- InChIKey
RYSAKTAGNQULLG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 2-Hydroxy-3,6,7-trimethylquinoxaline
- IUPAC
- 3,6,7-trimethyl-1H-quinoxalin-2-one
- English name
- 3,6,7-trimethyl-2(1H)-quinoxalinone(SALTDATA: FREE)
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
2-HYDROXY-3,6,7-TRIMETHYLQUINOXALINERefChem:473106654-636-428082-86-23,6,7-trimethylquinoxalin-2-ol3,6,7-Trimethyl-2(1H)-quinoxalinone3,6,7-trimethyl-1H-quinoxalin-2-one3,6,7-trimethyl-1,2-dihydroquinoxalin-2-oneMFCD077538833,6,7-trimethylquinoxalin-2(1h)-one2(1H)-Quinoxalinone,3,6,7-trimethyl-NSC62135
Show more names
2(1H)-Quinoxalinone, 3,6,7-trimethyl-3,6,7-trimethyl-2(1H)-quinoxalinone(SALTDATA: FREE)
orb3022500SCHEMBL2490947SCHEMBL113707853,6,7-trimethyl-2-quinoxaloneDTXSID20289597TPL0573RYSAKTAGNQULLG-UHFFFAOYSA-NDBA08286
Database identifiers
- CAS
28082-86-2- PubChem CID
- 247489
- DTXSID
DTXSID20289597- EC Number
- 654-636-4
- Nikkaji
- J1.266.467B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 278 · 278-279 °C
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
7 records
Compound notes
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