Basic information
- CAS
915-76-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1- InChIKey
KXQUYHRRCVECPV-UHFFFAOYSA-N- Molecular formula
- C12F21N3
- Average molar mass
- 585.11 g/mol
- Monoisotopic mass
- 584.9756884
Names & identifiers
- Preferred name
- 2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
- English name
- 2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
- Molecular formula
- C12F21N3
- Molecular weight
- 585.11
Names & synonyms
2,4,6-Tris(heptafluoropropyl)-1,3,5-triazineEINECS 213-023-8DTXSID50238598NSC 71020RefChem:443010DTXCID00161089213-023-8915-76-4Tris(heptafluoropropyl)-s-triazine2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazines-Triazine, 2,4,6-tris(heptafluoropropyl)-tris(heptafluoropropyl)-1,3,5-triazine
Show more names
PERFLUOROTRIPROPYL-S-TRIAZINE2,4,6-TRIS(PERFLUOROPROPYL)-S-TRIAZINE2-[(E)-hexadec-1-enyl]butanedioic acid2,4,6-TRIS(HEPTAFLUOROPROPYL)-S-TRIAZINE
MFCD000424381,3,5-Triazine, 2,4,6-tris(heptafluoropropyl)-Tris(perfluoropropyl)-S-triazine2,4,6-Tris(perfluoropropyl)-1,3,5-triazineNSC71020SCHEMBL8504406NSC-71020AKOS015852915
Database identifiers
- CAS
915-76-4- PubChem CID
- 70185
- DTXSID
DTXSID50238598
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 675
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 25 °C · ~25 °C
- Boiling point
- 164 · 164-165 °C(lit.)
- Density
- 1.716 g/mL · 1.716 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.311(lit.)
- Flash point
- 165 °C · 165°C
- storage temp.
- 2 · 2-8°C
- pka
- -4.58 · -4.58±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.71 · 1.71
- BRN
- 381010 · 381010
- CAS DataBase Reference
- 915 · 915-76-4(CAS DataBase Reference)
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 (100%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 1-10
- wgk
- 3
- hs_code
- 2933698090
- risk_code
- 20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
UsesTris(heptafluoropropyl)-s-triazine (CAS# 915-76-4) can be used for a secondary battery electrolyte, secondary battery, battery pack, electric vehicle, electronic power system, electronic tool, and electronic device.
Suppliers26 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]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [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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