ChemicalBook--->CAS DataBase List--->68162-47-0

68162-47-0

68162-47-0 Structure

68162-47-0 Structure
IdentificationMore
[Name]

4-(Bromomethyl)phenylboronic acid
[CAS]

68162-47-0
[Synonyms]

4-(BROMOMETHYL)BENZENEBORONIC ACID
4-BROMOMETHYLPHENYLBORONIC ACID
P-(BROMOMETHYL)PHENYLBORONIC ACID
RARECHEM AH PB 0061
4-Boronobenzyl bromide~4-(Bromomethyl)phenylboronic acid
4-Bromomethylphenylboronic acid tech.
4-BORONOBENZYL BROMIDE
4-Bromomethylphenylboronic
4-BROMOMETHYLPHENYLBORONIC ACID 85+%
4-(Bromomethyl)benzeneboronic acid, tech. 85%
[EINECS(EC#)]

627-358-6
[Molecular Formula]

C7H8BBrO2
[MDL Number]

MFCD01318113
[Molecular Weight]

214.85
[MOL File]

68162-47-0.mol
Chemical PropertiesBack Directory
[Melting point ]

173-177 °C
[Boiling point ]

343.1±44.0 °C(Predicted)
[density ]

1.57±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

8.51±0.17(Predicted)
[color ]

White
[BRN ]

3030979
[Stability:]

Unstable in Aqueous Solution
[InChI]

InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
[InChIKey]

PDNOURKEZJZJNZ-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(CBr)C=C1)(O)O
[CAS DataBase Reference]

68162-47-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Reactant involved in:
  • Design of boronic acid-based autotaxin inhibitors
  • Synthesis of boronated phosphonium salts
  • Studies of incorporation of boronic acid groups to enhance gene transfection capability
  • Investigations of the effect of boronic acid-positioning in optical glucose-sensing ensemble
[Uses]

Reactant involved in:• ;Design of boronic acid-based autotaxin inhibitors1• ;Synthesis of boronated phosphonium salts2• ;Studies of incorporation of boronic acid groups to enhance gene transfection capability2• ;Investigations of the effect of boronic acid-positioning in optical glucose-sensing ensemble3
[Uses]

suzuki reaction
[General Description]

May contain varying amounts of anhydride
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Bromomethyl)phenylboronic acid(68162-47-0)1HNMR
4-(Bromomethyl)phenylboronic acid(68162-47-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(Bromomethyl)benzeneboronic acid, tech. 85%(68162-47-0)
[Sigma Aldrich]

68162-47-0(sigmaaldrich)
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