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Basic information
- CAS
25983-13-5- Standard SMILES
O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O- InChIKey
AVBSIKMUAFYZAV-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2N2O2
- Average molar mass
- 231.03 g/mol
- Monoisotopic mass
- 229.9649828
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-6,7-dichloroquinoxaline
- IUPAC
- 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
- English name
- 6,7-Dichloro-1,4-dihydro-2,3-quinoxalinedione
- Molecular formula
- C8H4Cl2N2O2
- Molecular weight
- 231.04
Names & synonyms
2,3-Dihydroxy-6,7-dichloroquinoxalineRefChem:105939825983-13-56,7-Dichloroquinoxaline-2,3(1H,4H)-dione6,7-DICHLORO-1,4-DIHYDRO-2,3-QUINOXALINEDIONE6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione6,7-dichloroquinoxaline-2,3-diolMFCD00078575SpecPlus_000650Spectrum3_001668Spectrum4_0006306,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione
Show more names
DCQX-dione6,7-DICHLOROQUINOXALINE-2,3-DIONE6,7-DICHLORO-2,3-QUINOXALINEDIONE6,7-Dichloroquinoxaline-2,3(1H,4H)6,7-Dichloro-2,3-dihydroxyquinoxaline6,7-Dichloro-2,3-quinoxalinedione, DCQX
CHEMBL284028BDBM22778KBio2_0047096,7-dichloro-1,2,3,4-tetrahydroquinoxaline-2,3-dioneNCGC00095336-026,7-dichloro-quinoxaline-2,3(1H,4H)-dioneSR-01000075444-1Spectrum_001661
Database identifiers
- CAS
25983-13-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
Collision Cross Section
143 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
152.31 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；139.57 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 170 · 170-170.5 °C
- Density
- 1.59 · 1.590±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.45 · 8.45±0.20(Predicted)
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2933998090
- hazard_code
- Xi
Chemistry & industry
Applications
Uses6,7-Dichloro-1,4-dihydroquinoxaline-2,3-dione is a potential antagonist of the glycine site on N-methyl-D-aspartate (NMDA) receptors and can be useful in the study of structure-activity relationships of quinoxaline derivatives as Gly/NMDA receptor antagonists.
Upstream & downstream products
Downstream products
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
8 records
Compound notes
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