1-Methyl-1,4-dihydro-2,3-quinoxalinedione

HCID 600627

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Basic information

CAS: 20934-51-4
Standard SMILES: Cn1c(=O)c(=O)[nH]c2ccccc21
InChIKey: ZJDLDFIDSAFPFG-UHFFFAOYSA-N
Molecular formula: C9H8N2O2
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.0585775

Names & identifiers

Preferred name: 1-Methyl-1,4-dihydro-2,3-quinoxalinedione
IUPAC: 4-methyl-1H-quinoxaline-2,3-dione
English name: 2,3-Quinoxalinedione,1,4-dihydro-1-methyl-(6CI,7CI,9CI)
Molecular formula: C9H8N2O2
Molecular weight: 176.17

Names & synonyms

20934-51-41-Methyl-1,4-dihydro-2,3-quinoxalinedioneDTXSID50344946RefChem:231437DTXCID802960201-Methylquinoxaline-2,3(1H,4H)-dione4-methyl-1H-quinoxaline-2,3-dione1-methyl-1,4-dihydroquinoxaline-2,3-dione2,3-Quinoxalinedione, 1,4-dihydro-1-methyl-MFCD11054015SCHEMBL6013602AT21275

Show more names

4-methyl-1H-quinoxaline-2,3-quinone1,2,3,4-Tetrahydro-1-methyl-2,3-dioxoquinoxaline2,3-Quinoxalinedione,1,4-dihydro-1-methyl-(6CI,7CI,9CI)1-methyl-1,4-dihydro-2,3-quinoxalinedione(SALTDATA: FREE)

1,4-dihydro-1-methylquinoxalin-2,3-dione1-Methyl-1,4-dihydro-2,3-quinoxalinedione, AldrichCPRN-Methyl-1,4-dihydro-2,3-quinoxalinedioneSCHEMBL4706735SCHEMBL295801912,3-Quinoxalinedione, 1,4-dihydro-1-methyl- (6CI,7CI,9CI)ALBB-025407SBB017865

Database identifiers

CAS: 20934-51-4
PubChem CID: 600627
DTXSID: DTXSID50344946
EC Number: 107-197-3
Nikkaji: J1.410.212D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 252

Physicochemical properties

Melting point: 281 · 281-283 °C
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
pka: 10.23 · 10.23±0.20(Predicted)
form: solid
InChI: 1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h2-5H,1H3,(H,10,12)
InChIKey: ZJDLDFIDSAFPFG-UHFFFAOYSA-N
SMILES: O=C1N(C)C2=CC=CC=C2NC1=O
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · UN 2811 6.1 / PGIII
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

ridadr: UN 2811 6.1 / PGIII
risk_code: 25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310