Basic information
- CAS
7423-53-2- Standard SMILES
O=c1n(CC(O)CCl)c(=O)n(CC(O)CCl)c(=O)n1CC(O)CCl- InChIKey
IEWXGNMLWRMTTJ-UHFFFAOYSA-N- Molecular formula
- C12H18Cl3N3O6
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 405.026118
Names & identifiers
- Preferred name
- Tris(3-chloro-2-hydroxypropyl)isocyanurate
- IUPAC
- 1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
Names & synonyms
Tris(3-chloro-2-hydroxypropyl)isocyanurateTris(3-chloro-2-hydroxypropyl) isocyanurates-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chloro-2-hydroxypropyl)-1,3,5-Tris(3-chloro-2-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trioneRefChem:900225TRIS(3-CHLORO-2-HYDROXYPROPYL)-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE7423-53-21,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trioneMetaxalone Impurity 107U633P6SNNSCHEMBL10481147DTXSID40995709
Show more names
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-chloro-2-hydroxypropyl)-
Database identifiers
- CAS
7423-53-2- PubChem CID
- 23904
- DTXSID
DTXSID40995709- UNII
- 7U633P6SNN
- Nikkaji
- J32.464G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalyzed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…