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ChemicalBook--->CAS DataBase List--->138500-85-3

138500-85-3

138500-85-3 Structure

138500-85-3 Structure
IdentificationMore
[Name]

4-(Bromomethyl)benzeneboronic acid pinacol ester
[CAS]

138500-85-3
[Synonyms]

4-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER
4-BROMOMETHYLPHENYLBORONIC ACID, PINACOL ESTER
4-(Bromomethyl)benzeneboronic acid pinacol cyclic ester
4-(Bromomethyl)phenylboronic acid pinacol cyclic ester~2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(Bromomethyl)phenylboronicacidpinacolcyclicester~2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[(4-bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(bromomethyl)phenylboronic acid pinacol cyclic ester
[EINECS(EC#)]

679-122-7
[Molecular Formula]

C13H18BBrO2
[MDL Number]

MFCD02179493
[Molecular Weight]

297
[MOL File]

138500-85-3.mol
Chemical PropertiesBack Directory
[Melting point ]

85-89 °C
[Boiling point ]

351.2±25.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[solubility ]

soluble in Toluene
[form ]

powder
[color ]

white to off-white
[BRN ]

7921808
[InChI]

InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
[InChIKey]

CBUOGMOTDGNEAW-UHFFFAOYSA-N
[SMILES]

O1C(C)(C)C(C)(C)OB1C1=CC=C(CBr)C=C1
[CAS DataBase Reference]

138500-85-3(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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3261
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant/Keep Cold
[TSCA ]

No
[HazardClass ]

8
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is used in the synthesis of metalloproteinase-13 inhibitors in the treatment of osteoarthritis.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Bromomethyl)benzeneboronic acid pinacol ester(138500-85-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(Bromomethyl)benzeneboronic acid pinacol ester, 95%(138500-85-3)
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