ChemicalBook--->CAS DataBase List--->1005207-32-8

1005207-32-8

1005207-32-8 Structure

1005207-32-8 Structure
IdentificationBack Directory
[Name]

4-BENZYLTHIOPHENYLBORONIC ACID
[CAS]

1005207-32-8
[Synonyms]

AKOS BRN-0551
4-BENZYLTHIOPHENYLBORONIC ACID
4-(BENZYLSULFANYL)PHENYLBORONIC ACID
Boronic acid, B-[4-[(phenylmethyl)thio]phenyl]-
[Molecular Formula]

C13H13BO2S
[MDL Number]

MFCD06801692
[MOL File]

1005207-32-8.mol
[Molecular Weight]

244.12
Chemical PropertiesBack Directory
[Melting point ]

148-149 °C(Solv: hexane (110-54-3))
[Boiling point ]

435.4±55.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

8.52±0.17(Predicted)
[InChI]

1S/C13H13BO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
[InChIKey]

ALXFJPATEOZQPF-UHFFFAOYSA-N
[SMILES]

OB(O)C(C=C1)=CC=C1SCC2=CC=CC=C2
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
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