ChemicalBook--->CAS DataBase List--->67869-13-0

67869-13-0

67869-13-0 Structure

67869-13-0 Structure
IdentificationMore
[Name]

2,3,5-TRIBROMO-4-METHYLTHIOPHENE
[CAS]

67869-13-0
[Synonyms]

2,3,5-TRIBROMO-4-METHYLTHIOPHENE
Tribromomethylthiophene
[EINECS(EC#)]

267-441-0
[Molecular Formula]

C5H3Br3S
[MDL Number]

MFCD00130086
[Molecular Weight]

334.85
[MOL File]

67869-13-0.mol
Chemical PropertiesBack Directory
[Melting point ]

31°C
[Boiling point ]

283.0±35.0 °C(Predicted)
[density ]

2.329±0.06 g/cm3(Predicted)
[Fp ]

31 °C
[storage temp. ]

Refrigerator
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Yellow to Orange
[InChI]

InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
[InChIKey]

DTLNXOZXOZCNMX-UHFFFAOYSA-N
[SMILES]

C1(Br)SC(Br)=C(C)C=1Br
[CAS DataBase Reference]

67869-13-0(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

2,3,5-Tribromo-4-methylthiophene is a useful synthetic intermediate. It was used in the synthesis of diarylthiopheneacetyl guanidines as selective BACE1 inhibitors. It was also a reagent used to synthesize photochromic dithienylthiazole derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0)MS
2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0)1HNMR
2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0)13CNMR
2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0)IR1
2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2,3,5-Tribromo-4-methylthiophene,>95.0%(GC)(67869-13-0)
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