Basic information
- CAS
858-46-8- Standard SMILES
FC(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1- InChIKey
MQBPAXAOMVELQG-UHFFFAOYSA-N- Molecular formula
- C9F15N3
- Average molar mass
- 435.09 g/mol
- Monoisotopic mass
- 434.9852694
Names & identifiers
- Preferred name
- 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
- English name
- 2,4,6-Tris(perfluoroethyl)-s-triazine
- Molecular formula
- C9F15N3
- Molecular weight
- 435.09
Names & synonyms
858-46-82,4,6-Tris(pentafluoroethyl)-1,3,5-triazine2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazineEINECS 212-724-6DTXSID30235085RefChem:443015DTXCID30157576212-724-6Tris(pentafluoroethyl)-s-triazines-Triazine, 2,4,6-tris(pentafluoroethyl)-Tris(pentafluoroethyl)-1,3,5-triazineMFCD00042437
Show more names
PERFLUOROTRIETHYL-S-TRIAZINE2,4,6-TRIS(PENTAFLUOROETHYL)-S-TRIAZINE2,4,6-Tris(perfluoroethyl)-1,3,5-triazine
2,4,6-TRIS(PERFLUOROETHYL)-S-TRIAZINEP9ZX68GA751,3,5-Triazine, 2,4,6-tris(pentafluoroethyl)-2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine [for Mass spectrometry]Tris(perfluoroethyl)-S-triazineUNII-P9ZX68GA75SCHEMBL19327455SBB058643
Database identifiers
- CAS
858-46-8- PubChem CID
- 70072
- DTXSID
DTXSID30235085- UNII
- P9ZX68GA75
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 122 °C · 122°C
- Density
- 1.665 g/mL · 1.665 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.312
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- Specific Gravity
- 1.65 · 1.65
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 858 · 858-46-8(CAS DataBase Reference)
- FDA UNII
- 9 ZX68GA75 · P9ZX68GA75
- EPA Substance Registry System
- 2 · 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (858-46-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P304+P340, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- F
- 1-10
- wgk
- 3
- hs_code
- 2933698090
- risk_code
- 20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
- Hazard statements
- H315-H319-H332-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine is a useful reactant in the synthesis of fluorinated heteroannulated pyrimidines by the inverse-electron-demand Diels-Alder reaction.
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Clearsynth Labs Limited
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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