1,3,5-Tris(trifluoromethyl)benzene
- CAS No.
- 729-81-7
- Chemical Name:
- 1,3,5-Tris(trifluoromethyl)benzene
- Synonyms
- 1,3,5-Tri(trifluoromethyl)benzene;1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE;Benzene, 1,3,5-tris(trifluoromethyl)-;1,3,5-Tris(trifluoromethyl)benzene97%;1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 97%;1,3,5-Tris(trifluoromethyl)benzene, 97.5%;1,3,5-Tris(trifluoromethyl)benzene ISO 9001：2015 REACH
- CBNumber:
- CB4292698
- Molecular Formula:
- C9H3F9
- Molecular Weight:
- 282.11
- MOL File:
- 729-81-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/1/11 10:30:13
| Melting point | 9.0 °C |
|---|---|
| Boiling point | 120 °C/750 mmHg (lit.) |
| Density | 1.514 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 110 °F |
| solubility | Chloroform, Ethyl Acetate (Sparingly) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Stability | Volatile |
| InChI | InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H |
| InChIKey | ZMAUHKSOLPYPDB-UHFFFAOYSA-N |
| SMILES | C1(C(F)(F)F)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 729-81-7(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P303+P361+P353-P305+P351+P338 | |||||||||
| Hazard Codes | Xi,F | |||||||||
| Risk Statements | 10-36/37/38 | |||||||||
| Safety Statements | 16-26-36 | |||||||||
| RIDADR | UN 1993 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Flammable | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29039990 | |||||||||
| NFPA 704 |
|
1,3,5-Tris(trifluoromethyl)benzene price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 424765 | 1,3,5-tris(trifluoromethyl)benzene 97% | 729-81-7 | 1G | ₹4156.7 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 424765 | 1,3,5-tris(trifluoromethyl)benzene 97% | 729-81-7 | 5G | ₹21648.6 | 2022-06-14 | Buy |
| TCI Chemicals (India) | T2830 | 1,3,5-Tris(trifluoromethyl)benzene min. 98.0 % | 729-81-7 | 5G | ₹6100 | 2022-05-26 | Buy |
| TCI Chemicals (India) | T2830 | 1,3,5-Tris(trifluoromethyl)benzene min. 98.0 % | 729-81-7 | 25G | ₹14400 | 2022-05-26 | Buy |
1,3,5-Tris(trifluoromethyl)benzene Chemical Properties,Uses,Production
Uses
1,3,5-tris(trifluoromethyl)benzene was used as a starting material in the synthesis of bis(2,4,6-tris(trifluoromethyl)phenyl)chloropnictines.
It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.
General Description
1,3,5-tris(trifluoromethyl)benzene is a tri-substituted benzene. It has been synthesized by reacting benzene-1,3,5-tricarboxylic acid with SF4. Reports suggest that 1,3,5-tris(trifluoromethyl)benzene is a nonanesthetics and shows convulsant properties. Its vapor absorption spectra and corresponding solution spectra has been investigated. Its reaction with methyl lithium has been analyzed using semiempirical reaction modelling.
Structure and conformation
The principal structural parameters rh1(∠h1) determined by GED are (bond lengths in Angstroms and bond angles in degrees with 3σ in parentheses): r(C C)=1.392(4), r(C?C)=1.512(4), r(C?F)av=1.346(2), ∠C–C(CF3)– C=120.9(2), ∠C–C(H)–C=119.1(2), ∠(C–C–F)av=111.6(2). The structure of the carbon ring deviates from a regular hexagon due to the σ-electronegative effect of the CF3 groups. The geometric parameters of the trifluoromethyl groups deviate considerably from regular tetrahedron arrangement[1].
References
[1] Inna N. Kolesnikova . “Molecular structure and conformation of 1,3,5-tris(trifluoromethyl)-benzene as studied by gas-phase electron diffraction and quantum chemical calculations.” Journal of Molecular Structure 1074 (2014): Pages 196-200.
1,3,5-Tris(trifluoromethyl)benzene Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| LEAPCHEM CO., LTD. | +86-852-30606658 | China | 43348 | 58 | Inquiry |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | China | 20361 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | China | 29798 | 60 | Inquiry |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | China | 16220 | 58 | Inquiry |
| Fluoropharm Co., Ltd. | +86-0571-85586753; +8613336034509 | China | 1377 | 60 | Inquiry |
| Xi'an Kono chem co., Ltd., | 029-86107037 13289246953 | China | 2995 | 58 | Inquiry |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | China | 49391 | 58 | Inquiry |
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