ChemicalBook--->CAS DataBase List--->147621-18-9

147621-18-9

147621-18-9 Structure

147621-18-9 Structure
IdentificationMore
[Name]

Indole-6-boronic acid
[CAS]

147621-18-9
[Synonyms]

1H-INDOL-6-YLBORONIC ACID
6-BORONOINDOLE
6-INDOLEBORONIC ACID
INDOLE-6-BORONIC ACID
6-Indolylboronic acid
Indole-6-boronic acid 98%
1H-Indole-6-boronic acid
[Molecular Formula]

C8H8BNO2
[MDL Number]

MFCD03095176
[Molecular Weight]

160.97
[MOL File]

147621-18-9.mol
Chemical PropertiesBack Directory
[Melting point ]

177-181 °C
[Boiling point ]

433.2±37.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[solubility ]

soluble in Methanol
[form ]

powder
[pka]

9.00±0.30(Predicted)
[color ]

White to Orange to Green
[Sensitive ]

Air Sensitive
[InChI]

1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
[InChIKey]

ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
[SMILES]

OB(O)c1ccc2cc[nH]c2c1
[CAS DataBase Reference]

147621-18-9(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

IRRITANT
[HS Code ]

2933299090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

Reactant involved in synthesis of:
  • Indole compounds for use as HIV-1 glycoprotein-41 fusion inhibitors
  • δ-Carbolines / carbozoles
  • Trisubstituted pyrimidines as PI3K inhibitors
  • (Thienopyridine)carboxamides as CHK1 inhibitors
  • cis-Fluorostilbenes

Reactant involved in Suzuki-Miyaura reactions
Spectrum DetailBack Directory
[Spectrum Detail]

Indole-6-boronic acid(147621-18-9)1HNMR
Indole-6-boronic acid(147621-18-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

147621-18-9(sigmaaldrich)
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