ChemicalBook > CAS DataBase List > TRANS-2,5-DIFLUOROCINNAMIC ACID

TRANS-2,5-DIFLUOROCINNAMIC ACID

Product Name
TRANS-2,5-DIFLUOROCINNAMIC ACID
CAS No.
112898-33-6
Chemical Name
TRANS-2,5-DIFLUOROCINNAMIC ACID
Synonyms
CAS:112898-33-6;RARECHEM AL BK 0214;2,5-DIFLUOROCINNAMIC ACID;TRANS-2,5-DIFLUOROCINNAMIC ACID;trans-2,5-Difluorociamic acid,98%;trans-2,5-Difluorocinnamicacid97%;trans-2,5-Difluorocinnamic acid 97%;trans-2,5-DifluorocinnaMic acid,98%;3-(2,5-Difluoro-phenyl)-acrylic acid;(E)-3-(2,5-difluorophenyl)acrylic acid
CBNumber
CB5348853
Molecular Formula
C9H6F2O2
Formula Weight
184.14
MOL File
112898-33-6.mol
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TRANS-2,5-DIFLUOROCINNAMIC ACID Property

Melting point:
138-140 °C (lit.)
Boiling point:
278.5±25.0 °C(Predicted)
Density 
1.3056 (estimate)
storage temp. 
Store at room temperature
pka
4.16±0.10(Predicted)
form 
powder
color 
Off-white
BRN 
7918450
InChI
InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChIKey
XAWHCSKPALFWBI-DAFODLJHSA-N
SMILES
C(O)(=O)/C=C/C1=CC(F)=CC=C1F
CAS DataBase Reference
112898-33-6(CAS DataBase Reference)
NIST Chemistry Reference
2,5-Difluorocinnamic acid(112898-33-6)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-26/37/39
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.

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
290343
Product name
trans-2,5-Difluorocinnamic acid
Purity
98%
Packaging
5g
Price
$113
Updated
2025/07/31
TRC
Product number
D447685
Product name
trans-2,5-Difluorocinnamic acid
Packaging
50mg
Price
$45
Updated
2021/12/16
SynQuest Laboratories
Product number
2921-3-25
Product name
trans-2,5-Difluorocinnamic acid
Purity
98%
Packaging
5G
Price
$20
Updated
2021/12/16
Apolloscientific
Product number
PC2762
Product name
trans-2,5-Difluorocinnamic acid
Purity
97%
Packaging
5g
Price
$21
Updated
2021/12/16
AK Scientific
Product number
N599
Product name
trans-2,5-Difluorocinnamic acid
Packaging
1g
Price
$30.4
Updated
2021/12/16
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TRANS-2,5-DIFLUOROCINNAMIC ACID Chemical Properties,Usage,Production

Chemical Properties

white crystalline powder

Uses

trans-2,5-Difluorocinnamic acid may be used in chemical synthesis.

Synthesis

110-89-4

2646-90-4

112898-33-6

The general procedure for the synthesis of trans-2,5-difluorocinnamic acid from hexahydropyridine and 2,5-difluorobenzaldehyde is as follows: 1. piperidine (2 mL, 20.2 mmol) and pyridine (50 mL) were added to a mixture of 2,5-difluorobenzaldehyde (12.07 g, 85.0 mmol) and malonic acid (18.28 g, 175.6 mmol) under stirring conditions. 2. The reaction mixture was heated to reflux (oil bath temperature 100 °C) under nitrogen protection and maintained for 2 hours. Effervescence was observed during the reaction for about 90 minutes, initially intense then gradually diminishing. 3. Upon completion of the reaction, the mixture was cooled to 20-25 °C and slowly poured into a stirred 2 M hydrochloric acid solution (310 mL) and the pH was adjusted to 1. The reaction was carried out at 20-25 °C. 4. After aging the precipitate for 1 hour at 20-25°C, it was filtered. The filter cake was washed with distilled water (2 x 50 mL) and subsequently dried for 1 hour. 5. The dried solid product was dissolved in tert-butyl methyl ether (TBME, 250 mL) to separate the organic and aqueous phases. The aqueous phase was extracted once more with TBME (100 mL). 6. The organic phases were combined, dried with magnesium sulfate (25 g), filtered and concentrated by rotary evaporator to give the white solid product trans-2,5-difluorocinnamic acid (13.4 g, 85.7% yield).

References

[1] Patent: US2003/139457, 2003, A1
[2] Patent: US2005/70578, 2005, A1

TRANS-2,5-DIFLUOROCINNAMIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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TRANS-2,5-DIFLUOROCINNAMIC ACID Suppliers

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112898-33-6, TRANS-2,5-DIFLUOROCINNAMIC ACIDRelated Search:

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  • Organic Building Blocks
  • Building Blocks
  • C9
  • Carboxylic Acids
  • Carbonyl Compounds
  • Aromatic Cinnamic Acids, Esters and Derivatives
  • Cinnamic acid
  • Miscellaneous
  • Acids & Esters
  • Fluorine Compounds
  • Fluoro-contained cinnamic acid series
  • Fluorine series
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  • Carbonyl Compounds
  • Carboxylic Acids