3-Fluorobenzotrifluoride
- CAS No.
- 401-80-9
- Chemical Name:
- 3-Fluorobenzotrifluoride
- Synonyms
- 1-FLUORO-3-(TRIFLUOROMETHYL)BENZENE;CL052;NSC 10315;3-Fluorobenzotrifluo;3-tetrafluorotoluene;3-Fluorobezotrifluoride;-Fluorobenzotrifluoride;m-fluorotrifluorotoluene;3-Flourobenzo trifluride;M-FLUOROBENZOTRIFLUORIDE
- CBNumber:
- CB6489111
- Molecular Formula:
- C7H4F4
- Molecular Weight:
- 164.1
- MDL Number:
- MFCD00000382
- MOL File:
- 401-80-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -81.5°C |
|---|---|
| Boiling point | 101-102 °C(lit.) |
| Density | 1.302 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Flash point | 45 °F |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform |
| form | Oil |
| color | Clear Colourless |
| Specific Gravity | 1.302 |
| BRN | 2045664 |
| InChI | InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
| InChIKey | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 401-80-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H225-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xi | |||||||||
| Risk Statements | 11-36/37/38 | |||||||||
| Safety Statements | 16-26-36-24/25-33-7/9 | |||||||||
| RIDADR | UN 1993 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Flammable/Irritant | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29039990 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
3-Fluorobenzotrifluoride price More Price(48)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 219371 | 3-Fluorobenzotrifluoride 99% | 401-80-9 | 25g | $63.8 | 2026-04-30 | Buy |
| TCI Chemical | F0390 | 3-Fluorobenzotrifluoride >98.0%(GC) | 401-80-9 | 25g | $58 | 2026-04-30 | Buy |
| TCI Chemical | F0390 | 3-Fluorobenzotrifluoride >98.0%(GC) | 401-80-9 | 250g | $433 | 2026-04-30 | Buy |
| Apolloscientific | PC3590 | 3-Fluorobenzotrifluoride 99% | 401-80-9 | 25g | $21 | 2026-06-04 | Buy |
| Apolloscientific | PC3590 | 3-Fluorobenzotrifluoride 99% | 401-80-9 | 100g | $43 | 2026-06-04 | Buy |
3-Fluorobenzotrifluoride Chemical Properties,Uses,Production
Chemical Properties
Clear colourless to light yellow liquid
Uses
3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.
Uses
3-Fluorobenzotrifluoride was used:
- as fluorinated aromatic solvent to investigate electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene and anthracene
- used to preparae 2-nitro-5-fluorobenzotrifluoride via nitration reaction
Synthesis
98-16-8
401-80-9
The general procedure for the synthesis of 3-fluorobenzotrifluoride (3-FBT) from m-aminobenzotrifluoride is as follows: in a three-necked round-bottomed flask equipped with a reflux condenser, thermocouples, and a stirring system, m-aminobenzotrifluoride is dissolved in o-dichlorobenzene or benzylnitrile and the reaction temperature is maintained at a temperature lower than 0 °C. Subsequently, 1.4-1.5 molar equivalents of BF3.Et2O or BF3.2H2O were slowly added. tert-butyl nitrite dissolved in the same solvent was added to the reaction mixture at ambient temperature. Next, the reaction medium was heated according to the temperature and time specified in Table (I). The reaction results were recorded in Table (I).
References
[1] Tetrahedron, 1996, vol. 52, # 1, p. 23 - 36
[2] Tetrahedron Letters, 2006, vol. 47, # 32, p. 5705 - 5708
[3] Patent: US2007/276168, 2007, A1. Location in patent: Page/Page column 8
[4] Journal de Chimie Physique et de Physico-Chimie Biologique, 1923, vol. 20, p. 60
[5] Chem. Zentralbl., 1923, vol. 94, # III, p. 918
3-Fluorobenzotrifluoride Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd. | 13396369453 18678026865 | sdfantai@163.com | China | 904 | 58 |
| iFar Chemical Technology | 0086-510-83488850 | sales@ifar.com.cn | China | 49 | 50 |
| Fuxin Xin Kaida Fluorine Chemistry Co., Ltd. | 0418-6566789 13464830066 | sales@xkdchem.com | China | 174 | 58 |
| Weifang Mingran Chemical Co., Ltd. | QQ117761326 QQ2829453795 15063661899; | mingranchem@163.com | China | 493 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Liaoning Tianhua Chemical Co., Ltd. | 0418-6530555 2855550 | China | 338 | 69 | |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| ShangHai DEMO Chemical Co.,Ltd | 400-021-7337 2355568890 | sales@demochem.com | China | 2569 | 57 |
View Lastest Price from 3-Fluorobenzotrifluoride manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-30 | 3-Fluorobenzotrifluoride
401-80-9
|
1KG | 99.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-05-28 | 3-Fluorobenzotrifluoride
401-80-9
|
$10.00 | 1KG | 99.% | 10 ton | Hebei Chuanghai Biotechnology Co,.LTD | |
 |
2026-03-20 | 3-Fluorobenzotrifluoride
401-80-9
|
$10.00 | 1KG | 99% | 10 mt | Hebei Chuanghai Biotechnology Co., Ltd |
-
- 3-Fluorobenzotrifluoride
401-80-9
- 99.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- 3-Fluorobenzotrifluoride
401-80-9
- $10.00
- 99.%
- Hebei Chuanghai Biotechnology Co,.LTD
-
- 3-Fluorobenzotrifluoride
401-80-9
- $10.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
