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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
Last updated:2025-09-25 17:15:13
Product description Number Pack Size Price
3-Fluorobenzotrifluoride 99% 219371 25g $29.95
3-Fluorobenzotrifluoride >98.0%(GC) F0390 25g $54
3-Fluorobenzotrifluoride >98.0%(GC) F0390 250g $401
3-Fluorobenzotrifluoride F588400 50g $90
3-Fluorobenzotrifluoride X8282 100g $54
More product size

3-Fluorobenzotrifluoride Properties

Melting point -81.5°C
Boiling point 101-102 °C(lit.)
Density 1.302 g/mL at 25 °C(lit.)
refractive index n20/D 1.4(lit.)
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)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H315-H319-H335
Precautionary statements  P210-P302+P352-P305+P351+P338
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
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
2 0

3-Fluorobenzotrifluoride price More Price(31)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 219371 3-Fluorobenzotrifluoride 99% 401-80-9 25g $29.95 2025-07-31 Buy
TCI Chemical F0390 3-Fluorobenzotrifluoride >98.0%(GC) 401-80-9 25g $54 2025-07-31 Buy
TCI Chemical F0390 3-Fluorobenzotrifluoride >98.0%(GC) 401-80-9 250g $401 2025-07-31 Buy
TRC F588400 3-Fluorobenzotrifluoride 401-80-9 50g $90 2021-12-16 Buy
AK Scientific X8282 3-Fluorobenzotrifluoride 401-80-9 100g $54 2021-12-16 Buy
Product number Packaging Price Buy
219371 25g $29.95 Buy
F0390 25g $54 Buy
F0390 250g $401 Buy
F588400 50g $90 Buy
X8282 100g $54 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

3-Aminobenzotrifluoride

98-16-8

3-Fluorobenzotrifluoride

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

98-16-8
401-80-9
Synthesis of 3-Fluorobenzotrifluoride from 3-Aminobenzotrifluoride
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View Lastest Price from 3-Fluorobenzotrifluoride manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Fluorobenzotrifluoride pictures 2026-01-05 3-Fluorobenzotrifluoride
401-80-9
US $10.00 / KG 1KG 99% 10 mt Hebei Chuanghai Biotechnology Co., Ltd
3-Fluorobenzotrifluoride pictures 2026-01-05 3-Fluorobenzotrifluoride
401-80-9
US $0.00-0.00 / KG 50mg 99%HPLC 2000tons Shaanxi Dideu Medichem Co. Ltd
3-Fluorobenzotrifluoride pictures 2025-12-01 3-Fluorobenzotrifluoride
401-80-9
US $0.00-0.00 / KG 1KG 99.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
3-Flourobenzo trifluride 3-(Trifluoromethyl)phenyl fluoride 3-Fluoro-1-(trifluoromethyl)benzene benzene,1-fluoro-3-(trifluoromethy 3-Fluorobenzotrifluo Between the fluorine Benzotrifluoride 3-Fluorobezotrifluoride Between three fluorine fluorine toluene m-fluorotrifluorotoluene M-(TrifluoroMethyl)fluorobenzene M-Fluoro(trifluoroMethyl)benzene NSC 10315 1-Fluoro-3-(trifluoromethyl)benzene alpha,alpha,alpha,3-Tetrafluorotoluene M-FLUOROBENZOTRIFLUORIDE 1-FLUORO-3-(TRIFLUOROMETHYL)BENZENE 1-(Trifluoromethyl)-3-fluorobenzene 3-tetrafluorotoluene Benzene, 1-fluoro-3-(trifluoromethyl)- benzene,1-fluoro-3-(trifluoromethyl)- m,alpha,alpha,alpha-Tetrafluorotoluene à,à,à,3-tetrafluorotoluene 3-Fluorobenzotrifluoride 99% 3-(trifluoromethyl)fluorobenzene,1-fluoro-3-(trifluoromethyl)benzene m,a,a,a-Tetrafluorotoluene m,α,α,α-tetrafluorotoluene Toluene, alpha,alpha,alpha-m-tetrafluoro- Toluene, m,alpha,alpha,alpha-tetrafluoro- toluene,m,α,α,α-tetrafluoro- Trifluoromethyl-3-fluorobenzene 3-Fluorotrifluoromethylbenzene 3-Fluorobenzotrifluoride,99% ALPHA,ALPHA,ALPHA,3-TETRAFLUOROTOLUENE 3-FLUOROBENZOTRIFLUORIDE CL052 M-Fluorotrifluoromethyl Benzol 1-(4-methoxyphenyl)-5-tetrazolamine -Fluorobenzotrifluoride 3-Fluorobenzotrifluoride> 3-(Trifluoromethyl)fluorobenzene -Fluorobenzotrifluoride 3- fluorobenzene trifluoro TIANFU-CHEM 3-Fluorobenzotrifluoride 3- fluorotrifluorotoluene 3-Fluorobenezotrifluoride α,α,α,3-tetrafluorotoluene 401-80-9 409-80-9 409-80-9 C7H4F4 FC6H4CF3 Building Blocks C7 Aryl Halogenated Hydrocarbons Organic Building Blocks Aromatic Hydrocarbons (substituted) & Derivatives bc0001