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179942-55-3

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179942-55-3 Structure

179942-55-3 Structure
IdentificationBack Directory
[Name]

4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID
[CAS]

179942-55-3
[Synonyms]

4-(1HTetrazol-5-yl)phenylboronicaci
4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID
4-(1H-Tetrazol-5-yl)-phenylboronic acid
Boronic acid, B-[4-(2H-tetrazol-5-yl)phenyl]-
[Molecular Formula]

C7H7BN4O2
[MDL Number]

MFCD06739099
[MOL File]

179942-55-3.mol
[Molecular Weight]

189.97
Chemical PropertiesBack Directory
[Melting point ]

174-179°C (Decomposition)
[Boiling point ]

480.3±55.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

4.11±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
[InChIKey]

DXUPJOQUAAVAGV-UHFFFAOYSA-N
[SMILES]

OB(O)c1ccc(cc1)-c2nnn[nH]2
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H228
[Precautionary statements ]

P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
[WGK Germany ]

3
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

Product is used as a reactant for palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction).
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID(179942-55-3)1HNMR
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