Basic information
- CAS
27032-78-6- Standard SMILES
O=C1NCNC(=O)N1- InChIKey
YTFXKURWTLWPKK-UHFFFAOYSA-N- Molecular formula
- C3H5N3O2
- Average molar mass
- 115.09 g/mol
- Monoisotopic mass
- 115.03817641
Names & identifiers
- Preferred name
- 2,4-Dioxohexahydro-1,3,5-triazine
- IUPAC
- 1,3,5-triazinane-2,4-dione
- English name
- 2,4-Dioxohexahydro-1,3,5-triazine
- Molecular formula
- C3H5N3O2
- Molecular weight
- 115.09
Names & synonyms
27032-78-62,4-dioxohexahydro-1,3,5-triazineDioxohexahydrotriazine8F9SNY1M73DTXSID10181516RefChem:134588DTXCID501040071,3,5-triazinane-2,4-dione5-AzadihydrouracilMFCD000854401,3,5-Triazine-2,4(1H,3H)-dione,dihydro-Dihydro-1,3,5-triazine-2,4(1H,3H)-dione
Show more names
Hexahydro-1,3,5-triazine-2,4-dione2 4-DIOXOHEXAHYDRO-1 3 5-TRIAZINE 95%1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-DIHYDRO-1,3,5-TRIAZINE-2,4(1 H ,3 H)-DIONE5,6-Dihydro-1,3,5-triazine-2,4(1H,3H)-dione
NSC-1197491,3,5-triazaperhydroine-2,4-dioneCCRIS 3441EINECS 248-178-0NSC 119749triazinane-2,4-dioneUNII-8F9SNY1M731,5-triazinane-2,4-dione
Database identifiers
- CAS
27032-78-6- PubChem CID
- 33674
- DTXSID
DTXSID10181516- ChEMBL
CHEMBL208992- UNII
- 8F9SNY1M73
- EC Number
- 248-178-0
- Nikkaji
- J227.566J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 290 °C · >290 °C (dec.)(lit.)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- Water Solubility
- soluble in Solution of sodium hydroxide in water
- form
- powder to crystal
- pka
- 9.47 · 9.47±0.20(Predicted)
- color
- White to Almost white
- FDA UNII
- 8 F9SNY1M73 · 8F9SNY1M73
- WGK Germany
- 3 · 3
- HS Code
- 2933.69 · 2933.69.6050
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
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)
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
- wgk
- 3
- hs_code
- 2933.69.6050
Chemistry & industry
Suppliers19 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京康满林化工实业有限公司025-83697070 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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