ChemicalBook > CAS DataBase List > 7-BROMO-5-FLUOROINDOLE

7-BROMO-5-FLUOROINDOLE

Product Name
7-BROMO-5-FLUOROINDOLE
CAS No.
408355-23-7
Chemical Name
7-BROMO-5-FLUOROINDOLE
Synonyms
7-BROMO-5-FLUOROINDOLE;7-bromo-5-fluoro-1H-indene;1H-Indole, 7-broMo-5-fluoro-;7-Bromo-5-fluoro-1H-indole 97%
CBNumber
CB2129350
Molecular Formula
C8H5BrFN
Formula Weight
214.03
MOL File
408355-23-7.mol
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7-BROMO-5-FLUOROINDOLE Property

Melting point:
20-25°C
Boiling point:
315.1±22.0 °C(Predicted)
Density 
1.750±0.06 g/cm3(Predicted)
Flash point:
>110℃
storage temp. 
2-8°C
pka
14.49±0.30(Predicted)
form 
solid
Appearance
Off-white to light brown <20°C Solid,>25°C Liquid
Sensitive 
Light Sensitive
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
22-37/38-41
Safety Statements 
26-36/37/39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
2933998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

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

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
754374
Product name
7-Bromo-5-fluoroindole
Purity
95%
Packaging
500mg
Price
$109
Updated
2023/06/20
TRC
Product number
B694320
Product name
7-Bromo-5-fluoroindole
Packaging
100mg
Price
$525
Updated
2021/12/16
TRC
Product number
B694320
Product name
7-Bromo-5-fluoroindole
Packaging
250mg
Price
$1050
Updated
2021/12/16
Apolloscientific
Product number
PC7087
Product name
7-Bromo-5-fluoro-1H-indole
Purity
97%
Packaging
250mg
Price
$54
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-B-Y9
Product name
7-Bromo-5-fluoro-1H-indole
Packaging
250mg
Price
$87
Updated
2021/12/16
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7-BROMO-5-FLUOROINDOLE Chemical Properties,Usage,Production

Uses

7-Bromo-5-fluoroindole is an HIV-1 attachment inhibitor.

Synthesis

1003-98-1

107-14-2

107-06-2

408355-23-7

(a) Synthesis of 5-fluoro-7-bromoindole. 2-Bromo-4-fluoroaniline (13.8 g, 72.6 mmol) was slowly added dropwise to a dichloromethane solution of boron trichloride (1.0 M, 81.1 mL, 81.1 mmol) cooled in ice water. The reaction mixture was gradually warmed to room temperature with continuous stirring for 30 minutes. Subsequently, chloroacetonitrile (13.5 mL, 87.1 mmol), aluminum chloride (13.5 g, 98.4 mmol) and 1,2-dichloroethane (95 mL) were added sequentially. The reaction system was heated to 70 °C to evaporate the dichloromethane, followed by refluxing the reaction for 24 hours. Upon completion of the reaction, it was cooled to 0-5 °C, 2.5 M HCl (130 mL) was carefully added and heated to 80 °C and kept at 80 °C for 1 h until the solid was completely dissolved. The aqueous layer was separated and the organic phase was extracted with dichloromethane. The organic layers were combined, washed sequentially with water and brine, dried over anhydrous sodium sulfate and concentrated to give a yellow solid (11 g, 56.9% yield), which could be used directly in the next reaction. The crude was dissolved in a solvent mixture of dioxane (68 mL) and water (7.6 mL) and sodium borohydride (1.64 g) was added in batches. The reaction was carried out at room temperature for 30 minutes to confirm complete consumption of the raw material and then heated to reflux for 18 hours. The reaction solution was cooled to room temperature, treated sequentially with 0.1 N HCl (70 mL), 2 N HCl (20 mL) and concentrated HCl (15 mL) and extracted with ethyl acetate. The organic layer was washed with water and brine, dried over anhydrous sodium sulfate and concentrated. The crude product was purified by silica gel column chromatography (eluent: hexane/ethyl acetate) to afford 5-fluoro-7-bromoindole (4.4 g, 52.2% yield).1H NMR (400 MHz, CDCl3) δ 6.49 (dd, J = 2.35, 3.13 Hz, 1H), 7.06 (d, J = 2.35, 8.60 Hz, 1H), 7.14- 7.17 (m, 2H), 8.18 (br, 1H); MS (ES, m/z): C8H5BrFN [M+] calcd for 79Br: 211.9, found: 211.9; calcd for 81Br: 214.0, found: 214.0.

References

[1] Patent: US2004/48915, 2004, A1

7-BROMO-5-FLUOROINDOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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7-BROMO-5-FLUOROINDOLE Suppliers

J & K SCIENTIFIC LTD.
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