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B-Cyclohexylboronic acid

B-Cyclohexylboronic acid structure

B-Cyclohexylboronic acid 

structure
  • CAS No:

    4441-56-9

  • Formula:

    C6H13BO2

  • Chemical Name:

    B-Cyclohexylboronic acid

  • Synonyms:

    Boronic acid,B-cyclohexyl-;Cyclohexaneboronic acid;Boronic acid,cyclohexyl-;B-Cyclohexylboronic acid;Cyclohexylboronic acid;Cyclohexylboric acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White to light yellow crystal powde

B-Cyclohexylboronic acid Basic Attributes

127.98

127.98

DTXSID30196162

2931900090

Characteristics

40.5

1.0±0.1 g/cm3

115-116 °C

252.4°C at 760 mmHg

106.4±22.6 °C

1.452

25 g/L

Safety Information

NONH for all modes of transport

3

R36/37/38

S37/39-S26

GU7171000

Xi:Irritant;

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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 6 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

B-Cyclohexylboronic acid Use and Manufacturing

Reactant involved in:• ;HF-free synthesis of tetrabutylammonium trifluoroborates1• ;Cross-coupling with aromatic amines2• ;Suzuki cross-coupling reactions3• ;Arylation and alkylation of diphenylisoxazole4 suzuki reaction

Computed Properties

Molecular Weight:127.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:128.1008598
Monoisotopic Mass:128.1008598
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:79.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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