ChemicalBook--->CAS DataBase List--->4334-87-6

4334-87-6

4334-87-6 Structure

4334-87-6 Structure
IdentificationMore
[Name]

3-Ethoxycarbonylphenylboronic acid
[CAS]

4334-87-6
[Synonyms]

3-CARBETHOXY-PHENYL-BORONIC ACID
3-(ETHOXYCARBONYL)BENZENEBORONIC ACID
3-ETHOXYCARBONYLPHENYLBORONIC ACID
AKOS BRN-0097
ETHYL 3-BORONOBENZOATE
M-ETHOXYCARBONYLPHENYLBORONIC ACID
3-(Ethoxycarbonyl)Phenylboroni
[Molecular Formula]

C9H11BO4
[MDL Number]

MFCD02179444
[Molecular Weight]

193.99
[MOL File]

4334-87-6.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powde
[Melting point ]

135-139 °C (lit.)
[Boiling point ]

368.4±44.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

soluble in Methanol
[form ]

Powder
[pka]

7.78±0.10(Predicted)
[color ]

White
[InChI]

1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3
[InChIKey]

REHVCPNQQBDOJJ-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1cccc(c1)B(O)O
[CAS DataBase Reference]

4334-87-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R26:Very Toxic by inhalation.
R22:Harmful if swallowed.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

No
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powde
[Uses]

Reactant for:
  • Palladium-catalyzed Suzuki-Miyaura coupling
  • Palladium-catalyzed arylation of aldehydes
  • Reductive cross coupling reactions
  • Preparation of β3-adrenergic receptor agonist
  • Transmetalation reactions
[Uses]

suzuki reaction
Spectrum DetailBack Directory
[Spectrum Detail]

3-Ethoxycarbonylphenylboronic acid(4334-87-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Ethoxycarbonylphenylboronic acid, 97%(4334-87-6)
[Alfa Aesar]

3-(Ethoxycarbonyl)benzeneboronic acid, 97%(4334-87-6)
[Sigma Aldrich]

4334-87-6(sigmaaldrich)
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