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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
Molecular Weight:
214.03
MDL Number:
MFCD04037875
MOL File:
408355-23-7.mol
MSDS File:
SDS
Last updated:2026-05-27 23:55:10
Product description Number Pack Size Price
7-Bromo-5-fluoroindole 95% 754374 500mg $109
7-Bromo-5-fluoro-1H-indole 97% AS188590 1g $70
7-Bromo-5-fluoro-1H-indole 97% AS188590 5g $322
7-Bromo-5-fluoro-1H-indole 97% AS188590 25g $1312
7-Bromo-5-fluoro-1H-indole 97.0% B23568 100mg $18

7-BROMO-5-FLUOROINDOLE Properties

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
InChI 1S/C8H5BrFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
InChIKey XOMFQRPHXMTJSG-UHFFFAOYSA-N
SMILES FC1=CC2=C(NC=C2)C(Br)=C1
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H315-H318-H335
Precautionary statements  P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs Respiratory system
Hazard Codes  Xi,Xn
Risk Statements  22-37/38-41
Safety Statements  26-36/37/39
WGK Germany  3
HazardClass  IRRITANT
HS Code  2933998090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
NFPA 704
1
2 0

7-BROMO-5-FLUOROINDOLE price More Price(41)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 754374 7-Bromo-5-fluoroindole 95% 408355-23-7 500mg $109 2023-06-20 Buy
Activate Scientific AS188590 7-Bromo-5-fluoro-1H-indole 97% 408355-23-7 1g $70 2026-06-04 Buy
Activate Scientific AS188590 7-Bromo-5-fluoro-1H-indole 97% 408355-23-7 5g $322 2026-06-04 Buy
Activate Scientific AS188590 7-Bromo-5-fluoro-1H-indole 97% 408355-23-7 25g $1312 2026-06-04 Buy
Synthonix B23568 7-Bromo-5-fluoro-1H-indole 97.0% 408355-23-7 100mg $18 2026-05-06 Buy
Product number Packaging Price Buy
754374 500mg $109 Buy
AS188590 1g $70 Buy
AS188590 5g $322 Buy
AS188590 25g $1312 Buy
B23568 100mg $18 Buy

7-BROMO-5-FLUOROINDOLE Chemical Properties,Uses,Production

Uses

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

Synthesis

2-Bromo-4-fluoroaniline

1003-98-1

Chloroacetonitrile

107-14-2

1,2-Dichloroethane

107-06-2

7-BROMO-5-FLUOROINDOLE

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 Suppliers

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7-BROMO-5-FLUOROINDOLE Spectrum

7-BROMO-5-FLUOROINDOLE 1H-Indole, 7-broMo-5-fluoro- 7-bromo-5-fluoro-1H-indene 7-Bromo-5-fluoro-1H-indole 97% 408355-23-7