ChemicalBook--->CAS DataBase List--->10075-50-0

10075-50-0

10075-50-0 Structure

10075-50-0 Structure
IdentificationMore
[Name]

5-Bromoindole
[CAS]

10075-50-0
[Synonyms]

5-BI
5-BROMO-1H-INDOLE
5-BROMOINDOLE
RARECHEM AH BS 0082
5-Bromindole
5-bromonindole
5-Bromide indole
Bromoindole-99%
5-Bromoindole99%
5-Bromoindole 99%
5-BROMOBENZOTHOAZOLE
5-BROMOINDAN-1-ONE
5-BROMO INDOLE pure
1H-Indole, 5-bromo-
[EINECS(EC#)]

233-208-7
[Molecular Formula]

C8H6BrN
[MDL Number]

MFCD00005670
[Molecular Weight]

196.04
[MOL File]

10075-50-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light brown powder or chunks
[Melting point ]

90-92 °C (lit.)
[Boiling point ]

228.5°C (rough estimate)
[density ]

1.5466 (rough estimate)
[refractive index ]

1.6550 (estimate)
[storage temp. ]

-20°C
[solubility ]

126mg/l (calculated)
[form ]

Powder or Chunks
[pka]

16.04±0.30(Predicted)
[color ]

White to light brown
[Detection Methods]

HPLC,NMR
[BRN ]

112877
[InChI]

InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
[InChIKey]

VXWVFZFZYXOBTA-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(Br)C=C2)C=C1
[CAS DataBase Reference]

10075-50-0(CAS DataBase Reference)
[EPA Substance Registry System]

10075-50-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[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:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29339990
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER-->C-(1H-INDOL-5-YL)-METHYLAMINE-->5-Indolylboronic acid-->5-Cyanoindole-->5-Acetylindole-->Indole-5-carboxaldehyde-->5-Bromoisatoic anhydride-->(R)-5-BROMO-3-[(1-METHYL-2-PYRROLIDINYL)METHYL]-1H-INDOLE-->INDOLE-5-METHANOL-->5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid-->1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-->3-ACETOXY-5-BROMOINDOLE-->5-Bromo-3-cyanoindole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Bromo-1H-indole(10075-50-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light brown powder or chunks
[Uses]

A potential inhibitor of GSK-3
[Purification Methods]

Purify it by steam distillation from a faintly alkaline solution. Cool the aqueous distillate, collect the solid, dry it in a vacuum desiccator over P2O5 and recrystallise it from aqueous EtOH (35% EtOH) or pet ether/Et2O. UV in MeOH has at 279, 287 and 296nm (log 3.70, 3.69 and 3.53). The picrate has m 137-138o(dec) (from max Et2O/pet ether). [UV: Thesing et al. Chem Ber 95 2205 1962, UV and NMR: Lallemand & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 20/7 V 36.]
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromoindole(10075-50-0)MS
5-Bromoindole(10075-50-0)1HNMR
5-Bromoindole(10075-50-0)13CNMR
5-Bromoindole(10075-50-0)IR1
5-Bromoindole(10075-50-0)IR2
5-Bromoindole(10075-50-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromoindole, 99%(10075-50-0)
[Alfa Aesar]

5-Bromoindole, 99%(10075-50-0)
[Sigma Aldrich]

10075-50-0(sigmaaldrich)
[TCI AMERICA]

5-Bromoindole,>99.0%(GC)(10075-50-0)
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