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1072152-50-1

1072152-50-1 Structure

1072152-50-1 Structure
IdentificationBack Directory
[Name]

5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
[CAS]

1072152-50-1
[Synonyms]

5-Bromo-7-azaindole-3-boronic Acid Pinanol Ester
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrrolo[2,3-b]pyridine
5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C13H16BBrN2O2
[MDL Number]

MFCD10574985
[MOL File]

1072152-50-1.mol
[Molecular Weight]

322.99
Chemical PropertiesBack Directory
[density ]

1.43±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

12.93±0.40(Predicted)
[InChI]

1S/C13H16BBrN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)
[InChIKey]

HBAJAQXOPJTWPI-UHFFFAOYSA-N
[SMILES]

CC1(C)OB(OC1(C)C)c2c[nH]c3ncc(Br)cc23
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

25
[Safety Statements ]

45
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

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

Acute Tox. 3 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine(1072152-50-1)1HNMR
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