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Home > Encyclopedia > 3,4-Dichlorophenylboronic acid

3,4-Dichlorophenylboronic acid

3,4-Dichlorophenylboronic acid structure

3,4-Dichlorophenylboronic acid 

structure
  • CAS No:

    151169-75-4

  • Formula:

    C6H5BCl2O2

  • Chemical Name:

    3,4-Dichlorophenylboronic acid

  • Synonyms:

    RARECHEM AH PB 0086;AKOS BRN-0087;3,4-DICHLOROPHENYLBORNIC ACID;3,4-DICHLOROPHENYLBORONIC ACID;3,4-DICHLOROBENZENEBORONIC ACID;3,4-DICHLOROBENZENEBORONIC ACID(MAY CONTAIN VARYING AMOUNTS OF ANHYDRIDE);3,4-DICHLOROBENZENEBORONIC ACID 97%;3,4-Dichlorophenylboronic acid ,98%

  • Categories:

    Active Pharmaceutical Ingredients  >  Feed Additive

Description

white to off-white powder

3,4-Dichlorophenylboronic acid Basic Attributes

190.82

189.975967

7369790

1592732-453-0

DTXSID10370221

29163990

Characteristics

40.5

0.67320

White to off-white Powder

1.47±0.1 g/cm3(Predicted)

280-285 °C(lit.)

339.2±52.0 °C(Predicted)

159.0±30.7 °C

1.577

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38-19-11

26-36-37/39-33-16

Xi,F

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Dichlorophenylboronic acid Use and Manufacturing

Methods of Manufacturing

General procedure: To a solution in THF (4 mL) of DIPAB (863 mg, 7.5 mmol) and Mg (182 mg, 7.5 mmol) were added a PhMgBr 1M THF solution (375 μL, 375μmol) at room temperature. After 10 min, 30 mL of anhydrous THF were added followed by the arylbromide (5 mmol). The reaction mixture was cooled down to 0 °C and quenched slowly with 7 mL of MeOH. After 1h, volatile were removed under reduced pressure and the resulting solid was dissolved in 1N HCl/MeOH (7/3). After 1h at room temperature, 100 mL of AcOEt were added, the organic phase was washed with 1N HCl (30 mL) and brine (3×30 mL). Organic phases were concentrated under reduced pressure yielding a solid which was recrystallized from H1.

Uses

suzuki reaction

Computed Properties

Molecular Weight:190.82
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.9759650
Monoisotopic Mass:189.9759650
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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