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166316-48-9

166316-48-9 Structure

166316-48-9 Structure
IdentificationMore
[Name]

4-(2-CARBOXYETHYL)BENZENEBORONIC ACID
[CAS]

166316-48-9
[Synonyms]

3-(4-BORONOPHENYL)PROPIONIC ACID
4-(2-CARBOXYETHYL)BENZENEBORONIC ACID
4-(2-CARBOXYETHYL)PHENYLBORONIC ACID
RARECHEM AH PB 0082
3-(4-Boronophenyl)propionic acid~4-(2-Carboxyethyl)phenylboronic acid
[EINECS(EC#)]

681-349-1
[Molecular Formula]

C9H11BO4
[MDL Number]

MFCD01318119
[Molecular Weight]

193.99
[MOL File]

166316-48-9.mol
Chemical PropertiesBack Directory
[Melting point ]

158-160°C
[Boiling point ]

419.2±47.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

4.63±0.10(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

Slightly soluble in water.
[BRN ]

9198524
[InChI]

1S/C9H11BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,13-14H,3,6H2,(H,11,12)
[InChIKey]

VPSARXNVXCRDIV-UHFFFAOYSA-N
[SMILES]

OB(O)c1ccc(CCC(O)=O)cc1
[CAS DataBase Reference]

166316-48-9(CAS DataBase Reference)
Safety DataBack Directory
[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 ]

WGK 3
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

4-(2-Carboxyethyl)benzeneboronic acid is an important organic intermediate. It is used in agrochemical, pharmaceutical and dyestuff field.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-CARBOXYETHYL)BENZENEBORONIC ACID(166316-48-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(2-Carboxyethyl)benzeneboronic acid, 97%(166316-48-9)
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