CAS 55687-30-4 7-Methoxy-1,2-dihydroquinoxalin-2-one (HCID 491319)

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Basic information

CAS: 55687-30-4
Standard SMILES: COc1ccc2ncc(=O)[nH]c2c1
InChIKey: GVERQUMLAYWTMA-UHFFFAOYSA-N
Molecular formula: C9H8N2O2
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.0585775

Names & identifiers

Preferred name: 7-Methoxy-1,2-dihydroquinoxalin-2-one
IUPAC: 7-methoxy-1H-quinoxalin-2-one
English name: 2(1H)-Quinoxalinone, 7-methoxy-
Molecular formula: C9H8N2O2
Molecular weight: 176.17

Names & synonyms

7-methoxy-1,2-dihydroquinoxalin-2-oneRefChem:546642869-794-17-Methoxyquinoxalin-2(1H)-one55687-30-47-methoxy-1H-quinoxalin-2-one2(1H)-Quinoxalinone, 7-methoxy-MFCD151444982(1H)-Quinoxalinone, 7-methoxy-7-Methoxyquinoxalin-2-ol7-Methoxy-2(1H)-quinoxalinone7-methoxy-2-quinoxalinol

Show more names

7-methoxy-quinoxalin-2-olSCHEMBL558123SCHEMBL6213832-hydroxy-7-methoxy-quinoxalineSCHEMBL30637066DTXSID403332087-methoxy-quinoxalin-2(1H)-oneGVERQUMLAYWTMA-UHFFFAOYSA-N

Database identifiers

CAS: 55687-30-4
PubChem CID: 491319
DTXSID: DTXSID40333208
EC Number: 869-794-1
Nikkaji: J1.528.645H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 235 · 235-236 °C
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.55 · 8.55±0.70(Predicted)
Appearance: Yellow to orange 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