1,3-Bis(trifluoromethyl)-benzene
Synonym(s):α,α,α,α′,α′,α′-Hexafluoro-m-xylene
- CAS NO.：402-31-3
- Empirical Formula: C8H4F6
- Molecular Weight: 214.11
- MDL number: MFCD00000392
- EINECS: 206-939-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:20:35
What is 1,3-Bis(trifluoromethyl)-benzene?
Chemical properties
CLEAR COLOURLESS LIQUID
The Uses of 1,3-Bis(trifluoromethyl)-benzene
1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.
General Description
Lithiation reaction of 1,3-bis(trifluoromethyl)benzene has been investigated. 1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid.
Properties of 1,3-Bis(trifluoromethyl)-benzene
| Melting point: | -35°C |
| Boiling point: | 116-116.3 °C(lit.) |
| Density | 1.378 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 26 °C |
| storage temp. | Sealed in dry,2-8°C |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Specific Gravity | 1.378 |
| Water Solubility | Insoluble in water. Soluble in alcohol, ether, benzene. |
| BRN | 2052589 |
| Dielectric constant | 5.9800000000000004 |
| CAS DataBase Reference | 402-31-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1,3-bis(trifluoromethyl)-(402-31-3) |
| EPA Substance Registry System | Benzene, 1,3-bis(trifluoromethyl)- (402-31-3) |
Safety information for 1,3-Bis(trifluoromethyl)-benzene
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P273:Avoid release to the environment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1,3-Bis(trifluoromethyl)-benzene
| InChIKey | SJBBXFLOLUTGCW-UHFFFAOYSA-N |
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