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ChemicalBook--->CAS DataBase List--->87199-16-4

87199-16-4

87199-16-4 Structure

87199-16-4 Structure
IdentificationMore
[Name]

3-Formylphenylboronic acid
[CAS]

87199-16-4
[Synonyms]

3-BORONOBENZALDEHYDE
3-(DIHYDROXYBORYL)BENZALDEHYDE
3-FORMYLBENZENEBORONIC ACID
3-FORMYLBORONIC ACID
3-FORMYLPHENYLBORONIC ACID
AKOS BRN-0110
AURORA 15117
BENZALDEHYDE-3-BORONIC ACID
IFLAB-BB F1371-0205
M-FORMYLPHENYLBORONIC ACID
OTAVA-BB BB7110951391
RARECHEM AH PB 0194
TIMTEC-BB SBB004078
ZERENEX ZX001648
3-Boronobenzaldehyde~3-Formylphenylboronic acid
3-Formylpenylboronic Acid
Boronic acid, (3-formylphenyl)-(9CI)
3-FORMYLPHENYLBORONIC ACID (CONTAINS VARYING AMOUNTS OF ANHYDRIDE)
3-(Dihydroxyboryl)benzaldehyde, 3-Boronobenzaldehyde
[EINECS(EC#)]

628-589-5
[Molecular Formula]

C7H7BO3
[MDL Number]

MFCD00161356
[Molecular Weight]

149.94
[MOL File]

87199-16-4.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white Cryst
[Melting point ]

109-113 °C
[Boiling point ]

354.4±44.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

soluble in Methanol
[form ]

Powder, Crystals, and/or Chunks
[pka]

7.83±0.10(Predicted)
[color ]

Off-white to beige or light orange
[Sensitive ]

Air Sensitive
[BRN ]

3030769
[InChI]

InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
[InChIKey]

HJBGZJMKTOMQRR-UHFFFAOYSA-N
[SMILES]

B(C1=CC=CC(C=O)=C1)(O)O
[CAS DataBase Reference]

87199-16-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3261 8/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT, MOISTURE SENSITIVE
[PackingGroup ]

[HS Code ]

29319099
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol-->3-(4-METHYLPHENYL)BENZALDEHYDE-->3-(1,3-THIAZOL-2-YL)BENZALDEHYDE-->3-benzylbenzaldehyde-->2'-Nitro-biphenyl-3-carbaldehyde-->3-(6-Methoxynaphthalen-2-yl)benzaldehyde-->Benzaldehyde, 3-(benzoyloxy)- -->3-PHENYLETHYNYL-BENZALDEHYDE
Hazard InformationBack Directory
[Chemical Properties]

Off-white Cryst
[Uses]

Reagent used:
  • To study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dye
  • As exciton-coupled CD probes for epigallocatechin gallate

Biological inhibitor of γ-glutamyltranspeptidase

Reactant involved in:
  • Palladium-catalyzed homocoupling
  • Suzuki coupling reactions
[Uses]

3-Formylphenylboronic acid can be used as reagent to study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dye  and as exciton-coupled CD probes for epigallocatechin gallate Biological inhibitor of γ-glutamyltranspeptidase.
[Uses]

suzuki reaction
[References]

[1] BARTOSZ ZARYCHTA. 3-formylphenylboronic acid.[J]. Acta crystallographica. Section C, Crystal structure communications, 2004, 60 Pt 5: o344-5. DOI:10.1107/S0108270104006493.
[2] E. TANI?. Conformational, Structural, Vibrational, Electronic, and Molecular Docking Studies of 3-Formylphenylboronic Acid and 4-Formylphenylboronic Acid: A Comparative Study[J]. Russian Journal of Physical Chemistry A, 2020, 94 13: 2784-2796. DOI:10.1134/S0036024420130282.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Formylphenylboronic acid(87199-16-4)1HNMR
3-Formylphenylboronic acid(87199-16-4)FT-IR
3-Formylphenylboronic acid(87199-16-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Formylphenylboronic acid, 97%(87199-16-4)
[Alfa Aesar]

3-Formylbenzeneboronic acid(87199-16-4)
[Sigma Aldrich]

87199-16-4(sigmaaldrich)
[TCI AMERICA]

3-Formylphenylboronic Acid  (contains varying amounts of Anhydride)(87199-16-4)
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