ChemicalBook--->CAS DataBase List--->6287-82-7

6287-82-7

6287-82-7 Structure

6287-82-7 Structure
IdentificationBack Directory
[Name]

2 3-DIBROMOBENZO(B)THIOPHENE 97
[CAS]

6287-82-7
[Synonyms]

2,3-Dibromobenzothiophene
Benzo[b]thiophene, 2,3-dibromo-
2 3-DIBROMOBENZO(B)THIOPHENE 97
2 3-DIBROMOBENZO(B)THIOPHENE 97 ISO 9001:2015 REACH
[Molecular Formula]

C8H4Br2S
[MDL Number]

MFCD06798119
[MOL File]

6287-82-7.mol
[Molecular Weight]

291.994
Chemical PropertiesBack Directory
[Melting point ]

58-62 °C(lit.)
[Boiling point ]

345.1±22.0 °C(Predicted)
[density ]

2.008±0.06 g/cm3(Predicted)
[storage temp. ]

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

powder to crystal
[color ]

White to Light yellow to Dark green
[InChI]

InChI=1S/C8H4Br2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
[InChIKey]

TWZSIAFEFBKCNN-UHFFFAOYSA-N
[SMILES]

C12=CC=CC=C1C(Br)=C(Br)S2
Questions And AnswerBack Directory
[Uses]

2,3-Dibromothioindene is an organic intermediate that can be obtained by brominating benzothiophene and is used to prepare luminescent materials.
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36
[Safety Statements ]

26-45
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HS Code ]

29349990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 4
Eye Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

White to yellow solid
[Synthesis]

Thianaphthene

95-15-8

2,3-Dibromobenzo[b]thiophene

6287-82-7

Using benzothiophene as starting material in dichloromethane (DCM) solvent, potassium acetate was added as a base, followed by bromination reaction with dropwise addition of bromine to give 2,3-dibromothiophene (compound 12) as a white solid in 100% yield. In addition, the target compound X can be synthesized by replacing compound (11) in formula (1).

[References]

[1] Patent: JP2017/160159, 2017, A. Location in patent: Paragraph 0049
[2] Patent: US2014/256936, 2014, A1. Location in patent: Paragraph 0229
[3] Organic Letters, 2017, vol. 19, # 10, p. 2564 - 2567
[4] Chemistry - A European Journal, 2014, vol. 20, # 49, p. 16266 - 16272
[5] Chemistry - An Asian Journal, 2015, vol. 10, # 8, p. 1725 - 1730
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-Dibromobenzo[b]thiophene(6287-82-7)1HNMR
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