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Phenethylboronicacid

Phenethylboronicacid structure

Phenethylboronicacid 

structure
  • CAS No:

    34420-17-2

  • Formula:

    C8H11BO2

  • Chemical Name:

    Phenethylboronicacid

  • Synonyms:

    2-PHENYL-1-ETHYLBORONIC ACID;2-PHENYLETHANEBORONIC ACID;2-PHENYLETHYL-1-BORONIC ACID;2-PHENYLETHYLBORONIC ACID;RARECHEM AH PB 0199;PHENYLETHANEBORONIC ACID;PHENETHYLBORONIC ACID;Phenylethylboronic acid

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Phenethylboronicacid Basic Attributes

149.98

150.0852098 g/mol

DTXSID10188000

2931900090

Characteristics

40.46000

0.70190

1.077±0.06 g/cm3

76-81 °C (lit.)

310.4±35.0 °C(Predicted)

141.5ºC

1.587

10.12±0.43

Safety Information

IRRITANT

3

36/37/38

26-36

Xi

|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

PEBA

Phenethylboronicacid Use and Manufacturing

Reactant involved in:• ;Suzuki-Miyaura cross-coupling reactions1• ;Reactions with α-diazocarbonyl compounds2• ;C-H functionalization of quinones3• ;Cross-coupling with aromatic amines4• ;Arylation and alkylation of diphenylisoxazole5Reactant used in studies of the stability of boronic esters to hydrolysis6

Computed Properties

Molecular Weight:149.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:150.0852098
Monoisotopic Mass:150.0852098
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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