ChemicalBook--->CAS DataBase List--->30418-59-8

30418-59-8

30418-59-8 Structure

30418-59-8 Structure
IdentificationMore
[Name]

3-Aminobenzeneboronic acid
[CAS]

30418-59-8
[Synonyms]

3-AMINOBENZENEBORONIC ACID
3-AMINOPHENYLBORONIC ACID
M-AMINOPHENYLBORONIC ACID
M-APBA
TIMTEC-BB SBB004197
(m-aminophenyl)metaboric acid
3-Aminophenylboric Acid
3-AMINOBENZENEBORONIC ACID 1-HYDRATE
m-Aminophenylboronicacid,freebase
3-Aminophenylboronic
3-Aminobenzeneboronic acid 98%
3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride)
3-Aminobenzeneboronic acid, 96.5+%
3-Aminophenylboranic acid
3-Aminophenyldihydroxyborane
[EINECS(EC#)]

250-189-0
[Molecular Formula]

C6H8BNO2
[MDL Number]

MFCD00007755
[Molecular Weight]

136.94
[MOL File]

30418-59-8.mol
Chemical PropertiesBack Directory
[Melting point ]

225 °C
[Boiling point ]

376.0±44.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

powder or crystals
[pka]

pK1: 4.46;pK2: 8.81 (25°C)
[color ]

Off-white to light brown
[Water Solubility ]

Soluble in water (partly miscible).
[InChI]

InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
[InChIKey]

JMZFEHDNIAQMNB-UHFFFAOYSA-N
[SMILES]

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

30418-59-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29319090
Hazard InformationBack Directory
[Chemical Properties]

hexagonal plates
[Uses]

3-Aminobenzeneboronic acid is a boronic acid with potential use for biochemical research,it ie also used for suzuki reaction.
[Uses]

3-Aminobenzeneboronic acid is used as an organic chemical synthesis intermediate. It is a boronic acid with potential use for biochemical research.
[Uses]

suzuki reaction
[Synthesis]

3-Nitrophenylboronic acid

13331-27-6

3-Aminobenzeneboronic acid

30418-59-8

General method: 3-nitrophenylboronic acid (1 eq.), hexafluoroisopropanol (HFIP, 10 eq.) and iron powder (5 eq.) were added to the reaction tube and mixed. Subsequently, 2N aqueous hydrochloric acid solution was added dropwise to the reaction mixture. The reaction mixture was stirred at room temperature for 30 minutes and then neutralized with saturated aqueous sodium bicarbonate (NaHCO3). The organic layer was extracted three times with saturated aqueous sodium bicarbonate solution and combined. The organic layer was subsequently washed with brine, dried over anhydrous sodium sulfate (Na2SO4), filtered, and concentrated under reduced pressure. Finally, the crude product was purified by silica gel column chromatography to afford the target compound 3-aminophenylboronic acid.

[References]

[1] Tetrahedron Letters, 2017, vol. 58, # 37, p. 3646 - 3649
[2] Journal of the American Chemical Society, 1932, vol. 54, p. 4415,4418
[3] Journal of Organic Chemistry, 1937, vol. 2, p. 522,533
[4] Journal of the American Chemical Society, 1931, vol. 53, p. 713
[5] Patent: US2007/209123, 2007, A1. Location in patent: Page/Page column 7
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminobenzeneboronic acid(30418-59-8)1HNMR
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