Basic information
- CAS
1196-57-2- Standard SMILES
O=c1cnc2ccccc2[nH]1- InChIKey
FFRYUAVNPBUEIC-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801281
Overview
Quinoxalin-2-ol is a hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. It has a role as a metabolite. It derives from a hydride of a quinoxaline.
Names & identifiers
- Preferred name
- 2(1H)-Quinoxalinone
- IUPAC
- 1H-quinoxalin-2-one
- English name
- 2-Quinoxalinone
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
2-Hydroxyquinoxaline1196-57-22(1H)-QuinoxalinoneQuinoxalin-2-oneDTXSID6061604RefChem:473523DTXCID8033512214-815-6quinoxalin-2-ol2-QUINOXALINOL2-QuinoxalinoneQuinoxalin-2(1H)-one
Show more names
Quinoxalinol2-Quinazolone2-QUINOXACINOL
144499-26-31H-quinoxalin-2-one1,2-Dihydroquinoxalin-2-one3-Quinoxalinone2-Quinoxalonequinoxalinone2-Quinoxalinol(9CI)MFCD00006722
Database identifiers
- CAS
1196-57-2- PubChem CID
- 14526
- DTXSID
DTXSID6061604- ChEBI
CHEBI:38890- EC Number
- 214-815-6
- Nikkaji
- J54.923A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP0.8
Physicochemical properties
- Melting point
- 271 · 271-272 °C (lit.)
- Boiling point
- 265.75 °C · 265.75°C (rough estimate)
- Density
- 1.2312 · 1.2312 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- 9.2 · 9.20±0.50(Predicted)
- color
- Light Brown
- InChI
- InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
- InChIKey
- FFRYUAVNPBUEIC-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)N=CC1=O
- CAS DataBase Reference
- 1196 · 1196-57-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2 · 2(1H)-quinoxalinone(1196-57-2)
- EPA Substance Registry System
- 2 · 2(1H)-Quinoxalinone (1196-57-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/39-37/39
- WGK Germany
- 3 · 3
- RTECS
- 3630000 · VD3630000
- TSCA
- TSCA listed
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 · mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00285,
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2(1H)-Quinoxalinone
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VD3630000
- hs_code
- 29339900
- Toxicity
- mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00285,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/39-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Quinoxalinone: ACTIVE
Applications
Uses2-Quinoxalinone is a metabolite of Quinalphos, and is known to photocatalytically destroy antioxidant vitamins and biogenic amines in vitro and is genotoxic to both light- and dark-exposed bacteria.
General DescriptionEpitaxial crystallization of syndiotactic polypropylene on 2-quinoxalinol yields isochiral form II of syndiotactic polypropylene. 2-Quinoxalinol participates in direct dehydrative cross-coupling of 2-quinoxalinone with p-tolylacetylene via Pd/Cu-catalyzed phosphonium coupling.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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上海思域化工科技有限公司86-21-34053660 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
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sgtlifesciences pvt ltd+91-8790379245 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Additional notes
DefinitionChEBI: A hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2.
Related reactions
29 records
Compound notes
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