CAS 6479-18-1 1-Methyl-1,2-dihydroquinoxalin-2-one (HCID 351429)

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Basic information

CAS: 6479-18-1
Standard SMILES: Cn1c(=O)cnc2ccccc21
InChIKey: CHPVQLYVDDOWNT-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 1-Methyl-1,2-dihydroquinoxalin-2-one
IUPAC: 1-methylquinoxalin-2-one
English name: 2(1H)-Quinoxalinone,1-methyl-
Molecular formula: C9H8N2O
Molecular weight: 160.17

Names & synonyms

1-methyl-1,2-dihydroquinoxalin-2-one2(1H)-Quinoxalinone, 1-methyl-RefChem:433671836-692-36479-18-11-methylquinoxalin-2-one1-methylquinoxalin-2(1H)-one1-Methyl-2(1H)-quinoxalinoneMFCD018602502(1H)-QUINOXALINONE,1-METHYL-AK-830/25033058NSC521692

Show more names

starbld0004460methyl-2(1h)-quinoxalinone1-methylhydroquinoxalin-2-oneSCHEMBL5547790SCHEMBL6390410SCHEMBL29580418DTXSID20325904CHPVQLYVDDOWNT-UHFFFAOYSA-N

Database identifiers

CAS: 6479-18-1
PubChem CID: 351429
DTXSID: DTXSID20325904
EC Number: 836-692-3
Nikkaji: J745.971H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 225

Experimental & physicochemical properties

LogP0.79

Physicochemical properties

Melting point: 120 · 120-121 °C(Solv: ligroine (8032-32-4))
Boiling point: 296.8 · 296.8±23.0 °C(Predicted)
Density: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -0.39 · -0.39±0.70(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501