Basic information
- CAS
368-66-1- Standard SMILES
FC(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)F)n1- InChIKey
LSGBKABSSSIRJF-UHFFFAOYSA-N- Molecular formula
- C6F9N3
- Average molar mass
- 285.07 g/mol
- Monoisotopic mass
- 284.99485047
Overview
structure
Names & identifiers
- Preferred name
- 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(trifluoromethyl)-1,3,5-triazine
- English name
- 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
- Molecular formula
- C6F9N3
- Molecular weight
- 285.07
Names & synonyms
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-12,4,6-TRIS(TRIFLUOROMETHYL)-S-TRIAZINE2,4,6-Tris(trifluoromethyl)-sym-triazine1,3,5-Triazine, 2,4,6-tris(trifluoromethyl)-HYR9NXU32YDTXSID20190270RefChem:82185DTXCID30112761206-709-3Tris(trifluoromethyl)-1,3,5-triazines-Triazine, 2,4,6-tris(trifluoromethyl)-
Show more names
TTTLABOTEST-BB LT004516LABOTEST-BB LT00451669Tris(trifluoromethyl)-s-triazine 97%2,4,6-tris(trifluoromethyl)-s-triazin2,4,6-Tri(trifluoromethyl)-1,3,5-triazine
MFCD00042436Tris(trifluoromethyl)-s-triazineEINECS 206-709-3BRN 0302339AI3-52902ATM2UNII-HYR9NXU32Y5-26-01-00320 (Beilstein Handbook Reference)
Database identifiers
- CAS
368-66-1- PubChem CID
- 9715
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
PFASPFAS -> Agilent Tune Mix
Collision Cross Section143.7 Ų [M+CH3O]- [CCS Type: DT; Buffer gas: N2; Ionization: APCI-; Dataset: PFAS]
Physicochemical properties
- Melting point
- -24.7 °C · -24.7°C
- Boiling point
- 98.3 · 98.3-98.5 °C/748 mmHg (lit.)
- Density
- 1.596 g/mL · 1.596 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.313(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- -4.88 · -4.88±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless
- BRN
- 302339 · 302339
- Stability
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
Danger
H302 (79.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (79.6%)
Safety data
- F
- 1-10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- XZ2800000
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29336980
- risk_code
- 20/21/22-36/37-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
Uses2,4,6-Tris(trifluoromethyl)-1,3,5-triazine is used as a secondary battery electrolyte in power storage systems.
Upstream & downstream products
Downstream products
Suppliers40 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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