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80945-86-4

80945-86-4 Structure

80945-86-4 Structure
IdentificationMore
[Name]

6-Bromo-2-chlorobenzothiazole
[CAS]

80945-86-4
[Synonyms]

6-BROMO-2-CHLORO-1,3-BENZOTHIAZOLE
6-BROMO-2-CHLOROBENZO[D]THIAZOLE
6-BROMO-2-CHLOROBENZOTHIAZOLE
IFLAB-BB F1910-0018
Benzothiazole, 6-bromo-2-chloro-
[EINECS(EC#)]

627-810-2
[Molecular Formula]

C7H3BrClNS
[MDL Number]

MFCD04971822
[Molecular Weight]

248.53
[MOL File]

80945-86-4.mol
Chemical PropertiesBack Directory
[Melting point ]

99-103 °C
[Boiling point ]

157°C/18mmHg(lit.)
[density ]

1.849±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Toluene
[form ]

powder to crystal
[pka]

-0.87±0.10(Predicted)
[color ]

White to Orange to Green
[CAS DataBase Reference]

80945-86-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29342000
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Starting material in a synthesis of benzothiazole dimers with high binding affinity to β-amyloid fibrils.
[Synthesis]

6-BROMO-2-BENZOTHIAZOLINONE

62266-82-4

6-Bromo-2-chlorobenzothiazole

80945-86-4

General procedure for the synthesis of 6-bromo-2-chlorobenzothiazole from 6-bromo-2-benzothiazolone: 6-bromo-2-benzothiazolone (500 mg, 2.2 mmol) was dissolved in phosphorus trichloride (5 mL) and the reaction was carried out at reflux for 18 hours. After completion of the reaction, the reaction mixture was slowly poured into ice water. The pH of the mixture was adjusted to 9 with ammonia to neutralize the reaction. The resulting solid product was collected by filtration, washed with water and dried under vacuum to afford 6-bromo-2-chlorobenzothiazole (450 mg, 83% yield).

[References]

[1] Patent: WO2007/146066, 2007, A2. Location in patent: Page/Page column 88-89
[2] Patent: US2015/368278, 2015, A1. Location in patent: Paragraph 1050
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromo-2-chlorobenzothiazole(80945-86-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

80945-86-4(sigmaaldrich)
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