ChemicalBook--->CAS DataBase List--->685103-98-4

685103-98-4

685103-98-4 Structure

685103-98-4 Structure
IdentificationMore
[Name]

4-Isoquinolineboronic acid pinacol ester
[CAS]

685103-98-4
[Synonyms]

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE
4-ISOQUINOLINEBORONIC ACID, PINACOL ESTER
ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER
2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline
[Molecular Formula]

C15H20BNO3
[MDL Number]

MFCD05663891
[Molecular Weight]

273.14
[MOL File]

685103-98-4.mol
Chemical PropertiesBack Directory
[Melting point ]

98-102 °C (lit.)
[Boiling point ]

397.5±15.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

5.30±0.10(Predicted)
[color ]

White to Light yellow
[InChI]

InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
[InChIKey]

LOMKRPABAXIQJL-UHFFFAOYSA-N
[SMILES]

C1C2=C(C=CC=C2)C(B2OC(C)(C)C(C)(C)O2)=CN=1
[CAS DataBase Reference]

685103-98-4(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:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2933499090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

4-Isoquinolineboronic acid pinacol ester(685103-98-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

685103-98-4(sigmaaldrich)
[TCI AMERICA]

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline,>97.0%(GC)(T)(685103-98-4)
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