Basic information
- CAS
2904-41-8- Standard SMILES
O=C(O)CCn1c(=O)n(CCC(=O)O)c(=O)n(CCC(=O)O)c1=O- InChIKey
HENCHDCLZDQGIQ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O9
- Average molar mass
- 345.26 g/mol
- Monoisotopic mass
- 345.08082906
Names & identifiers
- Preferred name
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-
- IUPAC
- 3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
- English name
- TRIS(2-CARBOXYETHYL) ISOCYANURATE
- Molecular formula
- C12H15N3O9
- Molecular weight
- 345.26
Names & synonyms
2904-41-81,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-3,3',3''-(Trioxo-1,3,5-triazinetriyl)tri(propionic acid)EINECS 220-803-1NSC 116942,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanoic acidDTXSID5074343RefChem:412520DTXCID9037909220-803-1Tris(2-carboxyethyl) Isocyanurate3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
Show more names
phenyl]propanedianhydridTris(2-carboxyethyl) Isocyanurate >TRIS(2-CARBOXYETHYL) ISOCYANURATE 99+%tri(2-carboxyethyl)-1,3,5-triazinetrione3,3’,3’’-(trioxo-1,3,5-triazinetriyl)tri(propionicacid)3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoicacid,2,4,6-trioxo-12,4,6-trioxo-1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoicacid
tris(2-carboxyethyl)isocyanurateIsocyanuric Acid Tris(2-carboxyethyl) Ester3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropionic acidtris(2-carboxyethyl)isocyanuric acidMFCD00059790VLM4PJX92MOprea1_160115Oprea1_280444
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Melting point
- 222 °C · 222°C
- Boiling point
- 694.1 · 694.1±50.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Water Solubility
- almost transparency in hot Water
- form
- powder to crystal
- pka
- 3.89 · 3.89±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)
- InChIKey
- HENCHDCLZDQGIQ-UHFFFAOYSA-N
- SMILES
- N1(CCC(O)=O)C(=O)N(CCC(O)=O)C(=O)N(CCC(O)=O)C1=O
- FDA UNII
- 4 PJX92M · VLM4PJX92M
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo- (2904-41-8)
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 3.6% (1 of 28) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933.69.6050
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-: ACTIVE
Suppliers76 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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