Basic information
- CAS
21674-38-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1- InChIKey
BFAUAMWYFFXWLX-UHFFFAOYSA-N- Molecular formula
- C24F45N3
- Average molar mass
- 1,185.2 g/mol
- Monoisotopic mass
- 1,184.9373643
Names & identifiers
- Preferred name
- 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
- English name
- 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
- Molecular formula
- C24F45N3
- Molecular weight
- 1185.2
Names & synonyms
21674-38-42,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazineEINECS 244-521-3DTXSID20176059RefChem:443014DTXCID0098550244-521-32,4,6-Tris(perfluoroheptyl)-1,3,5-triazineTris(perfluoroheptyl)-S-triazineMFCD00042439C24F45N3
Show more names
PERFLUOROTRIHEPTYL-S-TRIAZINETris(perfluoroheptyl)-sym-triazineTRIS(PERFLUOROHEPTYL)-1,3,5-TRIAZINE2,4,6-TRIS(PERFLUOROHEPTYL)-S-TRIAZINE2,4,6-TRIS(PENTADECAFLUOROHEPTYL)-S-TRIAZINE2,4,6-tri (PERFLUOROHEPTYL) - 1,3,5-triazine2,4,6-Tris(perfluorohept-1-yl)-1,3,5-triazine
SCHEMBL6476727tri(perfluoroheptyl)-s-triazineAKOS015903202NS00018852D924051,3,5-Triazine, 2,4,6-tris(pentadecafluoroheptyl)-2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine, 98%2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine #
Properties
Computed structural properties
- XLogP
- 14.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 48
- Rotatable bonds
- 18
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,710
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 26 · 26-29 °C(lit.)
- Boiling point
- 150 °C · 150°C 1,5mm
- Density
- 1.8192 · 1.8192 (estimate)
- Flash point
- 150 °C/1.5mm · 150°C/1.5mm
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- -3.75 · -3.75±0.10(Predicted)
- color
- White to Off-White Waxy
- Water Solubility
- Insoluble in water.
- BRN
- 741791 · 741791
- Stability
- Hygroscopic
- InChIKey
- BFAUAMWYFFXWLX-UHFFFAOYSA-N
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 (97.4%): 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29336990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Liver
- Hazard statements
- H315-H335-H319
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
Uses2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine (CAS# 21674-38-4) is an s-triazine derivative (T773008) and is used as a reference standard in mass spectroscopy for m/z ratios between 600-1600.
Uses2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine may be used in chemical synthesis.
General Description2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine is a heterocyclic fluorinated building block.
Suppliers37 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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