ChemicalBook > CAS DataBase List > 3,4,5-Trifluoronitrobenzene

3,4,5-Trifluoronitrobenzene

Product Name
3,4,5-Trifluoronitrobenzene
CAS No.
66684-58-0
Chemical Name
3,4,5-Trifluoronitrobenzene
Synonyms
1,2,3-TRIFLUORO-5-NITROBENZENE;3,4,5-Trifluoronitro;5-Trifluoronitrobenzene;Pibrentasvir Impurity 17;3,4,5-TRIFLUORONITROBENZENE;5-Nitro-1,2,3-trifluorobenzene;1-NITRO-3,4,5-TRIFLUOROBENZENE;Benzene, 1,2,3-trifluoro-5-nitro-;3,4,5-Trifluoronitrobenzene, 98.5%;3,4,5-TRIFLUORO NITROBENZENE 99% MINIMUM
CBNumber
CB9427266
Molecular Formula
C6H2F3NO2
Formula Weight
177.08
MOL File
66684-58-0.mol
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3,4,5-Trifluoronitrobenzene Property

Boiling point:
208.6±35.0 °C(Predicted)
Density 
1.517 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.486(lit.)
Flash point:
167 °F
storage temp. 
Sealed in dry,Room Temperature
form 
clear liquid
color 
Light yellow to Yellow to Orange
BRN 
2455018
InChI
InChI=1S/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
PTTUMBGORBMNBN-UHFFFAOYSA-N
SMILES
C1(F)=CC([N+]([O-])=O)=CC(F)=C1F
CAS DataBase Reference
66684-58-0(CAS DataBase Reference)
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Safety

Hazard Codes 
T,Xi
Risk Statements 
25
Safety Statements 
45
RIDADR 
UN 2810 6.1/PG 3
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29049090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H300Fatal if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
656917
Product name
3,4,5-Trifluoronitrobenzene
Purity
97%
Packaging
25g
Price
$707
Updated
2023/06/20
Sigma-Aldrich
Product number
656917
Product name
3,4,5-Trifluoronitrobenzene
Purity
97%
Packaging
5g
Price
$148
Updated
2023/01/07
TCI Chemical
Product number
T2357
Product name
3,4,5-Trifluoronitrobenzene
Purity
>98.0%(GC)
Packaging
5g
Price
$41
Updated
2025/07/31
TCI Chemical
Product number
T2357
Product name
3,4,5-Trifluoronitrobenzene
Purity
>98.0%(GC)
Packaging
25g
Price
$126
Updated
2025/07/31
TRC
Product number
T896425
Product name
3,4,5-Trifluoronitrobenzene
Packaging
5g
Price
$60
Updated
2021/12/16
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3,4,5-Trifluoronitrobenzene Chemical Properties,Usage,Production

Chemical Properties

Colorless liquid

Uses

3,4,5-Trifluoronitrobenzene is a nitrobenzene derivative that has been shown to be stable in the environment. 3,4,5-Trifluoronitrobenzene has been detected in environmental samples and is considered to be a potential pollutant. This compound is not expected to bioaccumulate significantly due to its low water solubility. The liquid crystal properties of 3,4,5-trifluoronitrobenzene are also studied for potential application in display technologies.

Synthesis

148416-38-0

66684-58-0

The general procedure for the synthesis of 3,4,5-trifluoronitrobenzene from 2,3,4-trifluoro-6-nitroaniline was as follows: a solution of tert-butyl nitrite (340 mL) in N,N-dimethylformamide (DMF, 150 mL) was slowly added to a stirred solution of DMF (1 L) containing 6-nitro-2,3,4-trifluoroaniline (500 g). The reaction was carried out at 45-75 °C for 3 h under argon protection. After keeping the same temperature and continuing stirring for 1 h, the reaction mixture was treated with 20% aqueous hydrochloric acid solution (2 L). After cooling, steam distillation of the resulting solution gave 3,4,5-trifluoronitrobenzene as a yellow liquid, which was separated from the distillate (289 g, 62% yield). The purity of the resulting product was about 90% by gas chromatography (GC) analysis.1H NMR (δ): 8.13-7.92 (m, 2H).

References

[1] Patent: WO2004/37765, 2004, A1. Location in patent: Page 7; 8-9

3,4,5-Trifluoronitrobenzene Preparation Products And Raw materials

Raw materials

Preparation Products

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3,4,5-Trifluoronitrobenzene Suppliers

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View Lastest Price from 3,4,5-Trifluoronitrobenzene manufacturers

Henan Fengda Chemical Co., Ltd
Product
3,4,5-Trifluoronitrobenzene 66684-58-0
Price
US $35.00-1.20/kg
Min. Order
1kg
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-04-17
Career Henan Chemical Co
Product
3,4,5-Trifluoronitrobenzene 66684-58-0
Price
US $1.00/g
Min. Order
200KG
Purity
99%
Supply Ability
2tons
Release date
2019-12-19

66684-58-0, 3,4,5-TrifluoronitrobenzeneRelated Search:

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  • 1,2,3-TRIFLUORO-5-NITROBENZENE
  • 3,4,5-TRIFLUORONITROBENZENE
  • 1-NITRO-3,4,5-TRIFLUOROBENZENE
  • 3,4,5-TRIFLUORO NITROBENZENE 99% MINIMUM
  • 1,2,3-Trifluoro-5-nitrobenzene, 1-Nitro-3,4,5-trifluorobenzene
  • 3,4,5-Trifluoronitro
  • 5-Trifluoronitrobenzene
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  • 3,4,5-Trifluoronitrobenzene, 98.5%
  • Benzene, 1,2,3-trifluoro-5-nitro-
  • 3,4,5-Trifluoronitrobenzene ISO 9001：2015 REACH
  • Pibrentasvir Impurity 17
  • 66684-58-0
  • Building Blocks
  • Nitro Compounds
  • Nitrogen Compounds
  • Organic Building Blocks
  • Fluorobenzene
  • API intermediates
  • Miscellaneous
  • Benzenes
  • Fluorobenzene Series