Basic information
- Standard SMILES
Cc1ccc2nccnc2c1- InChIKey
OSRARURJYPOUOV-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Overview
6-Methylquinoxaline is a quinoxaline derivative.
Names & identifiers
- Preferred name
- 6-Methylquinoxaline
- IUPAC
- 6-methylquinoxaline
- English name
- 6-Methylquinoxaline
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
6-MethylquinoxalineQuinoxaline, 6-methyl-DTXSID00287490RefChem:105059DTXCID90238638InChI=1/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1HOSRARURJYPOUOV-UHFFFAOYSA-N6344-72-5MFCD000410016-methyl-quinoxalineNSC51327NSC-51327
Show more names
6-METHYLQUINOXALINE 99%6-Methylquinoxaline , 97+%
SCHEMBL27449AKOS005206833NCGC00184266-02NCGC00184266-03CS-0019265BB3L9MN4UQA15720SCHEMBL27448
Database identifiers
- CAS
6344-72-5- PubChem CID
- 242567
- DTXSID
DTXSID00287490- ChEMBL
CHEMBL1885120- ChEBI
CHEBI:194888- UNII
- BB3L9MN4UQ
- EC Number
- 670-336-6
- Nikkaji
- J101.319J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 218.5 °C · 218.5°C
- Boiling point
- 244 · 244-245°C
- Density
- 1.1164 · 1.1164
- refractive index
- 1.619 · 1.6190
- Flash point
- 244 · 244-245°C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.4 · 1.40±0.30(Predicted)
- Appearance
- Light yellow to brown Liquid
- BRN
- 113371 · 113371
- InChI
- InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
- InChIKey
- OSRARURJYPOUOV-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(C)=CC=2)N=CC=1
- LogP
- 1.872 · 1.872 (est)
- CAS DataBase Reference
- 6344 · 6344-72-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 6 · Quinoxaline, 6-methyl-(6344-72-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- Hazard Codes
- Xn,Xi,C,F
- Risk Statements
- 22 · 22-36/37/38-34-11
- Safety Statements
- 23 · 23-26-36/37/39-45-16
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (16.7%): 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)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Quinoxaline, 6-methyl-
Quinoxaline, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22-36/37/38-34-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,C,F
- safety_code
- 23-26-36/37/39-45-16
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Applications
Uses6-Methylquinoxaline (CAS# 6344-72-5) can be used as a conductive roller for electrophotographic apparatus. It has also be known for its sequential synthesis, olfactory properties, and biological activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 6-Methylquinoxaline is a quinoxaline derivative.
Related reactions
46 records
Linked notes
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