Basic information
- CAS
17311-31-8- Standard SMILES
O=[n+]1c(CO)c(CO)n([O-])c2ccccc21- InChIKey
DOIGHQCAQBRSKI-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Overview
Russian drug; structure
Names & identifiers
- Preferred name
- 2,3-Quinoxalinedimethanol, 1,4-dioxide
- IUPAC
- [3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol
- English name
- Dioxidine
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
DIOXIDINE17311-31-8DioxydineDioxidin2,3-Quinoxalinedimethanol, 1,4-dioxideMETROSEPTCHINOXALINDIMETHANOL DIOXIDE2,3-quinoxalinedimethanol-1,4-dioxide16BOP9XE0F2,3-Bis(hydroxymethyl)quinoxaline-1,4-dioxideDTXSID001695252,3-DI(HYDROXYMETHYL)QUINOXALINE DI-N-OXIDE
Show more names
EP3DioxydinumDioxidine-D42,3-Quinoxalinedimethanol, 12,3-Quinoxalinedimethanol 1,4-dioxide2,3-DIOXYMETHYLQUINOLINE-1,4-DI-N-OXIDE
SULFONIUM, TRIMETHYL-, 2,3-BIS(HYDROXYMETHYL)QUINOXALINE-1,4-DI-N-OXIDERefChem:134580DTXCID70920162,3-bis(hydroxymethyl)-1-oxoquinoxalin-1-ium-4(1H)-olate(1,4-dioxidoquinoxaline-2,3-diyl)dimethanol[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanolHydroxymethylquinoxalindioxyde(3-Hydroxymethyl-1,4-dioxy-quinoxalin-2-yl)-methanol
Database identifiers
- CAS
17311-31-8- PubChem CID
- 28467
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 171 · 171-172℃
- Boiling point
- 365.61 °C · 365.61°C (rough estimate)
- Density
- 1.5 · 1.50
- refractive index
- 1.662 · 1.6620 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 11.05 · 11.05±0.10(Predicted)
- color
- Light Yellow
- FDA UNII
- 16 BOP9XE0F · 16BOP9XE0F
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Applications
UsesDioxidine is a useful compound for identification of triazole and imidazole derivatives as antitubercular agents.
Suppliers56 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
APOLLO HEALTHCARE RESOURCES[email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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