ChemicalBook > CAS DataBase List > 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID

2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID

Product Name
2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
CAS No.
115029-23-7
Chemical Name
2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Synonyms
RARECHEM AL BO 0633;2-Fluoro-5-trifluoromethylbenz;à,à,à,6-tetrafluoro-m-toluic acid;2-fluoro-5-(trifluoromethyl)benzoic;2-FLUORO-5-TRIFLUOROMETHYLBENZIOC ACID;2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;2-Fluoro-5-(trifluoromethyl)benzoicacid98%;2-Fluoro-5-(trifluoromethyl)benzoicAcid>Benzoic acid, 2-fluoro-5-(trifluoromethyl)-;2-Fluoro-5-(trifluoromethyl)benzoic acid 98%
CBNumber
CB9397309
Molecular Formula
C8H4F4O2
Formula Weight
208.11
MOL File
115029-23-7.mol
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2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Property

Melting point:
100-103 °C (lit.)
Boiling point:
236℃
Density 
1.489
Flash point:
96℃
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly),
pka
2.84±0.10(Predicted)
form 
Solid
color 
Off-White to Pale Beige
BRN 
5813056
InChI
InChI=1S/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey
LIFKXWNFWIUMJT-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(C(F)(F)F)=CC=C1F
CAS DataBase Reference
115029-23-7(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29163990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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
455253
Product name
2-Fluoro-5-(trifluoromethyl)benzoic acid
Purity
98%
Packaging
5g
Price
$50.6
Updated
2023/06/20
TCI Chemical
Product number
F0620
Product name
2-Fluoro-5-(trifluoromethyl)benzoic Acid
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$28
Updated
2025/07/31
TCI Chemical
Product number
F0620
Product name
2-Fluoro-5-(trifluoromethyl)benzoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$80
Updated
2025/07/31
TRC
Product number
F598475
Product name
2-Fluoro-5-(trifluoromethyl)benzoic Acid
Packaging
1g
Price
$70
Updated
2021/12/16
AK Scientific
Product number
A997
Product name
2-Fluoro-5-(trifluoromethyl)benzoic Acid
Packaging
25g
Price
$87
Updated
2021/12/16
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2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Chemical Properties,Usage,Production

Chemical Properties

White to off-white powder

Synthesis Reference(s)

Tetrahedron Letters, 33, p. 7495, 1992 DOI: 10.1016/S0040-4039(00)60805-5

Synthesis

402-44-8

115029-23-7

General procedure for the synthesis of 2-fluoro-5-trifluoromethylbenzoic acid from 4-fluorobenzotrifluoride: 99 g (0.6 mol) of 4-fluorobenzotrifluoride was dissolved in 750 ml of tetrahydrofuran at -60 °C and protected by nitrogen, and 256 ml (0.64 mol) of a 2.5 M butyl lithium hexane solution was added slowly dropwise over a controlled period of time. The reaction mixture was stirred continuously at -60 °C to -70 °C for 4 h and subsequently poured into a large excess of dry ice. after 15 min, the excess dry ice was evaporated by external heating and the solvent was removed by rotary evaporator. The residue was dissolved in 500 ml of water, 30 ml of 1N sodium hydroxide solution was added and washed with 2 x 300 ml of ethyl acetate. The aqueous phase was acidified with concentrated hydrochloric acid and then extracted with 2 x 300 ml ethyl acetate. The organic phases were combined and washed sequentially with 500 ml of water and 300 ml of saturated saline, dried over anhydrous sodium sulfate and concentrated by rotary evaporation. The crude product was recrystallized by hexane to give 80 g of white analytically pure crystals with 64% yield and melting point of 205°C. The product was extracted with 500 ml of water and 300 ml of saturated saline. Elemental analysis results (C8H4O2F4): calculated value C 46.17%, H 1.94%; measured value C 46.16%, H 1.89%.

References

[1] Patent: US4705853, 1987, A
[2] Patent: US5304532, 1994, A

2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Preparation Products And Raw materials

Raw materials

Hexane Sodium sulfate Sodium chloride 4-Fluorobenzotrifluoride Carbon dioxide Tetrahydrofuran Ethyl acetate Sodium hydroxide n-Butyllithium

Preparation Products

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2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Suppliers

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View Lastest Price from 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID manufacturers

Speranza Chemical Co., Ltd.
Product
2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 115029-23-7
Price
US $420.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
20 tons
Release date
2019-12-24
Henan Aochuang Chemical Co.,Ltd.
Product
2-Fluoro-5-Trifluoromethylbenzoic Acid 115029-23-7
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-10-14
Career Henan Chemical Co
Product
2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 115029-23-7
Price
US $8.80/KG
Min. Order
1KG
Purity
97%-99%
Supply Ability
100kg
Release date
2019-07-12

115029-23-7, 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACIDRelated Search:

2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 3,4-DIFLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 3-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID 3-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID,3-Fluoro-5-(trifluoromethyl)benzoic acid 98% 5-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID,5-Fluoro-2-(trifluoromethyl)benzoic acid, 97+%,5-Fluoro-2-(trifluoromethyl)benzoic acid 98% 2-Fluoro-6-(trifluoromethyl)benzoic acid 98%,2-Fluoro-6-(trifluoromethyl)benzoic acid, 97+%,2-FLUORO-6-(TRIFLUOROMETHYL)BENZOIC ACID 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID,2-Fluoro-4-(trifluoromethyl)benzoic acid 98% 3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL)BENZOIC ACID,3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, 97+% 2-Fluoro-3-(trifluoromethyl)benzoic acid 98%,2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 4-Fluoro-3-(trifluoromethyl)benzoic acid 98%,4-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID 4-Fluoro-2-(trifluoromethyl)benzoic acid 98%,4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID 3-Fluoro-4-(trifluoromethyl)benzoic acid, 97+%,3-Fluoro-4-(trifluoromethyl)benzoic acid 98%,3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID m-Toluic acid 2,6-DIFLUORO-3-(TRIFLUOROMETHYL)-BENZOIC ACID 2,4-DIFLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 2,3,4-TRIFLUOR-5-TRIFLUORMETHYL-BENZOESAURE (trifluoromethyl)benzoic acid

  • RARECHEM AL BO 0633
  • 2-FLUORO-5-TRIFLUOROMETHYLBENZIOC ACID
  • 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
  • 2-Fluoro-5-trifluoromethylbenz
  • à,à,à,6-tetrafluoro-m-toluic acid
  • 2-Fluoro-5-(trifluoromethyl)benzoic acid 98%
  • 2-Fluoro-5-(trifluoromethyl)benzoicacid98%
  • 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID, 96+%
  • alpha,alpha,alpha,6-Tetrafluoro-m-toluic acid
  • alpha,alpha,alpha,6-Tetrafluoro-m-toluic acid, 3-Carboxy-4-fluorobenzotrifluoride
  • 2-fluoro-5-(trifluoromethyl)benzoic
  • 2-Fluoro-5-(trifluoromethyl)benzoicAcid&gt
  • Benzoic acid, 2-fluoro-5-(trifluoromethyl)-
  • 115029-23-7
  • 115029-25-7
  • C8H4O2F4
  • Building Blocks
  • Carboxylic Acids
  • Carbonyl Compounds
  • C8
  • CARBOXYLIC ACID
  • Organic Building Blocks
  • Fluorine series
  • C8
  • Carbonyl Compounds
  • Carboxylic Acids
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts