ChemicalBook > CAS DataBase List > 5,7-Difluoroindole

5,7-Difluoroindole

Product Name
5,7-Difluoroindole
CAS No.
301856-25-7
Chemical Name
5,7-Difluoroindole
Synonyms
SW-101;SWF-101;5,7-difluoroinde;5,8-Difluoroindole;5,7-DIFLUOROINDOLE;5,7-Difluoro-1H-Indole;1H-Indole, 5,7-difluoro-;1H-Indole,5,7-difluoro-(9CI)
CBNumber
CB5344431
Molecular Formula
C8H5F2N
Formula Weight
153.13
MOL File
301856-25-7.mol
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5,7-Difluoroindole Property

Boiling point:
253.2±20.0 °C(Predicted)
Density 
1.388±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
14.71±0.30(Predicted)
form 
liquid
color 
Light yellow
InChI
InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
WZPOGQRJXZGSMH-UHFFFAOYSA-N
SMILES
N1C2=C(C=C(F)C=C2F)C=C1
CAS DataBase Reference
301856-25-7(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Hazard Note 
Irritant
HS Code 
2933998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

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

TRC
Product number
D452068
Product name
5,7-Difluoroindole
Packaging
50mg
Price
$45
Updated
2021/12/16
Apolloscientific
Product number
PC7807
Product name
5,7-Difluoro-1H-indole
Packaging
250mg
Price
$79
Updated
2021/12/16
SynQuest Laboratories
Product number
3H31-3-Q1
Product name
5,7-Difluoro-1H-indole
Packaging
250mg
Price
$87
Updated
2021/12/16
ChemScene
Product number
CS-W022280
Product name
5,7-Difluoro-1H-indole
Purity
99.35%
Packaging
250mg
Price
$91
Updated
2021/12/16
Apolloscientific
Product number
PC7807
Product name
5,7-Difluoro-1H-indole
Packaging
1g
Price
$198
Updated
2021/12/16
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5,7-Difluoroindole Chemical Properties,Usage,Production

Synthesis

500139-00-4

301856-25-7

Example 4: Synthesis of the intermediate 5,7-difluoro-1H-indole To a solution of ethanol (35 mL) containing NaOEt (1.83 g, 26.9 mmol), a solution of ethyl (2,4-difluoro-6-trimethylsilylethynylphenyl)carbamate (2 g, 6.73 mmol) in ethanol (10 mL) was slowly added. The reaction mixture was stirred at room temperature for 1 h (monitored by TLC until the disappearance of the feedstock), followed by refluxing for 1 h. The reaction was completed by cooling to room temperature. After completion of the reaction, it was cooled to room temperature and the reaction mixture was concentrated under vacuum. The residue was dissolved in ether (50 mL) and washed sequentially with dilute hydrochloric acid (3 x 25 mL) and saturated saline (3 x 25 mL). The organic layer was dried with anhydrous Na2SO4, filtered and concentrated in vacuum. Purification by silica gel fast column chromatography (eluent ratio 1:4 ethyl acetate:hexane) gave 770 mg of the title compound in 75% yield.

References

[1] Patent: WO2005/12291, 2005, A1. Location in patent: Page/Page column 63

5,7-Difluoroindole Preparation Products And Raw materials

Raw materials

Preparation Products

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