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3-Fluorobenzotrifluoride

Product Name
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
Formula Weight
164.1
MOL File
401-80-9.mol
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3-Fluorobenzotrifluoride Property

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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable 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.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
219371
Product name
3-Fluorobenzotrifluoride
Purity
99%
Packaging
25g
Price
$29.95
Updated
2025/07/31
TCI Chemical
Product number
F0390
Product name
3-Fluorobenzotrifluoride
Purity
>98.0%(GC)
Packaging
25g
Price
$54
Updated
2025/07/31
TCI Chemical
Product number
F0390
Product name
3-Fluorobenzotrifluoride
Purity
>98.0%(GC)
Packaging
250g
Price
$401
Updated
2025/07/31
TRC
Product number
F588400
Product name
3-Fluorobenzotrifluoride
Packaging
50g
Price
$90
Updated
2021/12/16
AK Scientific
Product number
X8282
Product name
3-Fluorobenzotrifluoride
Packaging
100g
Price
$54
Updated
2021/12/16
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3-Fluorobenzotrifluoride Chemical Properties,Usage,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

Preparation Products

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3-Fluorobenzotrifluoride Suppliers

Ricci Chimica
Tel
--
Fax
--
Email
sales@riccichimica.com
Country
Italy
ProdList
2146
Advantage
46
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View Lastest Price from 3-Fluorobenzotrifluoride manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
3-Fluorobenzotrifluoride 401-80-9
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
10000KGS
Release date
2025-07-01
Hebei Chuanghai Biotechnology Co., Ltd
Product
3-Fluorobenzotrifluoride 401-80-9
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-12-02
Hebei Chuanghai Biotechnology Co., Ltd
Product
3-Fluorobenzotrifluoride 401-80-9
Price
US $30.00-10.00/KG
Min. Order
50KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-31

401-80-9, 3-FluorobenzotrifluorideRelated Search:


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