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ChemicalBook--->CAS DataBase List--->138642-62-3

138642-62-3

138642-62-3 Structure

138642-62-3 Structure
IdentificationMore
[Name]

2-Cyanophenylboronic acid
[CAS]

138642-62-3
[Synonyms]

2-CYANOBENZENEBORONIC ACID
2-CYANOPHENYLBORONIC ACID
AKOS BRN-0034
RARECHEM AH PB 0208
2-Boronobenzonitrile
Boronic acid, (2-cyanophenyl)-(9CI)
2-Cyanophenylboronic acid, >90%
o-CyanophenylboronicAcid
[EINECS(EC#)]

604-090-8
[Molecular Formula]

C7H6BNO2
[MDL Number]

MFCD01632208
[Molecular Weight]

146.94
[MOL File]

138642-62-3.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to cream powder
[Melting point ]

240 °C (dec.) (lit.)
[Boiling point ]

376.4±44.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

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

Soluble in methanol.
[form ]

Powder
[pka]

7.98±0.58(Predicted)
[color ]

Off-white to cream
[Detection Methods]

HPLC
[InChIKey]

NPLZNDDFVCGRAG-UHFFFAOYSA-N
[CAS DataBase Reference]

138642-62-3(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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29319099
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->n-Butyllithium-->Triisopropyl borate-->2-Bromobenzonitrile
[Preparation Products]

4-(2-Cyanophenyl)benzaldehyde-->4-Bromo-9H-fluoren-9-one-->2-Cyanophenol
Hazard InformationBack Directory
[Chemical Properties]

off-white to cream powder
[Uses]

2-Cyanophenylboronic Acid is used in the synthesis of pyridine inhibitors of TAK1. Also participates in the discovery and synthesis of 1,2,4-triazoles as novel allosteric valosine containing protein (VCP) inhibitors. VCP is found highly abundant in various tumor types allowing for a potential target in cancer therapy.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Cyanophenylboronic acid(138642-62-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Cyanophenylboronic acid, 98%(138642-62-3)
[Alfa Aesar]

2-Cyanobenzeneboronic acid, 95%(138642-62-3)
[Sigma Aldrich]

138642-62-3(sigmaaldrich)
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