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164014-95-3

164014-95-3 Structure

164014-95-3 Structure
IdentificationMore
[Name]

1,4-Benzodioxane-6-boronic acid
[CAS]

164014-95-3
[Synonyms]

(1,4-BENZODIOXAN-6-YL)BORONIC ACID
1,4-BENZODIOXANE-6-BORONIC ACID
2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLBORONIC ACID
2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YLBORONIC ACID
3,4-(ETHYLENEDIOXY)BENZENEBORONIC ACID
1,4-benzodioxan-6-boronic acid
2,3-Dihydro-1,4-benzodioxine-6-boronic acid
2,3-dihydro –benzo[b][1.4]dioxin-6-yl-6-boronic acid
1,4-Benzodioxane-6-boronic acid ,97%
[EINECS(EC#)]

625-755-9
[Molecular Formula]

C8H9BO4
[MDL Number]

MFCD01009696
[Molecular Weight]

179.97
[MOL File]

164014-95-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

187 °C
[Boiling point ]

361.0±52.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder
[pka]

8.52±0.20(Predicted)
[color ]

white to off-white
[Detection Methods]

HPLC
[BRN ]

7478648
[InChI]

InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
[InChIKey]

SQDUGGGBJXULJR-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C2OCCOC2=C1)(O)O
[CAS DataBase Reference]

164014-95-3(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

No
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Acetic acid-->Bromine-->n-Butyllithium-->Triisopropyl borate-->1,4-Benzodioxan
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

Reactant involved in:
  • Addition reactions with 1,8-naphthyridine N-oxides
  • Iodocyclization and palladium-catalyzed coupling reactions for synthesis of pyranoquinolines
  • Suzuki coupling reactions for synthesis of combretastatin analogs
  • Suzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindoles
  • Palladium-catalyzed oxyarylation of Heck reaction intermediates
  • C-H functionalization of quinones
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Benzodioxane-6-boronic acid(164014-95-3)1HNMR
1,4-Benzodioxane-6-boronic acid(164014-95-3)1HNMR
1,4-Benzodioxane-6-boronic acid(164014-95-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3-dihydro-1,4-benzodioxin-6-ylboronic acid(164014-95-3)
[Alfa Aesar]

1,4-Benzodioxane-6-boronic acid, 97%(164014-95-3)
[Sigma Aldrich]

164014-95-3(sigmaaldrich)
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