1,3,5-Tris(trifluoromethyl)benzene
- Product Name
- 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
- Formula Weight
- 282.11
- MOL File
- 729-81-7.mol
1,3,5-Tris(trifluoromethyl)benzene Property
- Melting point:
- 9.0 °C
- Boiling point:
- 120 °C/750 mmHg (lit.)
- Density
- 1.514 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.359(lit.)
- 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
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 424765
- Product name
- 1,3,5-tris(trifluoromethyl)benzene
- Purity
- 97%
- Packaging
- 1g
- Price
- $93.5
- Updated
- 2024/03/01
- Product number
- 424765
- Product name
- 1,3,5-tris(trifluoromethyl)benzene
- Purity
- 97%
- Packaging
- 5g
- Price
- $126
- Updated
- 2024/03/01
- Product number
- T2830
- Product name
- 1,3,5-Tris(trifluoromethyl)benzene
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $133
- Updated
- 2024/03/01
- Product number
- T2830
- Product name
- 1,3,5-Tris(trifluoromethyl)benzene
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $180
- Updated
- 2021/12/16
- Product number
- T876700
- Product name
- 1,3,5-Tris(trifluoromethyl)benzene
- Packaging
- 10g
- Price
- $575
- Updated
- 2021/12/16
1,3,5-Tris(trifluoromethyl)benzene Chemical Properties,Usage,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
1,3,5-Tris(trifluoromethyl)benzene Suppliers
View Lastest Price from 1,3,5-Tris(trifluoromethyl)benzene manufacturers
- Product
- 1,3,5-Tris(trifluoromethyl)benzene 729-81-7
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-26
- Product
- 1,3,5-Tris(trifluoromethyl)benzene 729-81-7
- Price
- US $0.00-0.00/KG
- Min. Order
- 10mg
- Purity
- 99%
- Supply Ability
- 2000tons
- Release date
- 2020-01-16
- Product
- 1,3,5-tris(trifluoromethyl)benzene 729-81-7
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27