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Home > Encyclopedia > 1-(2-Bromophenyl)cyclopropanecarboxylic acid

1-(2-Bromophenyl)cyclopropanecarboxylic acid

1-(2-Bromophenyl)cyclopropanecarboxylic acid structure

1-(2-Bromophenyl)cyclopropanecarboxylic acid 

structure
  • CAS No:

    124276-87-5

  • Formula:

    C10H9BrO2

  • Chemical Name:

    1-(2-Bromophenyl)cyclopropanecarboxylic acid

  • Synonyms:

    Cyclopropanecarboxylic acid,1-(2-bromophenyl)-;1-(2-Bromophenyl)cyclopropanecarboxylic acid;1-(2-Bromophenyl)cyclopropane-1-carboxylic acid

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-(2-Bromophenyl)cyclopropanecarboxylic acid Basic Attributes

241.08126

241.08

DTXSID40601777

2916399090

Characteristics

37.3

2.4

1.670±0.06 g/cm3(Predicted)

366.4±35.0 °C(Predicted)

175.4ºC

1.639

Room temperature.

Safety Information

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-(2-Bromophenyl)cyclopropanecarboxylic acid Use and Manufacturing

1-(2-Bromo-phenyl)cyclopropane carboxylic acid acid (1 eq.) (commercially available, Combi-Blocks) was placed in an autoclave and to this was added dichloromethane (2 vol), anhydrous HF (2 eq.), followed by SF4 (3 eq.). The vessel was then heated to 100C for 36 h. The reaction was cooled to rt, transferred to a 5 L vessel of ice (1 vol) and washed with dichloromethane (0.5 vol). The solution was carefully basified with a solution of potassium hydrogen carbonate. Once the solution reached pH 8 the mixture was separated and the aqueous layer extracted with dichloromethane (2 x 1 vol). The combined organic layers were dried (MgS04), filtered and concentrated at atmospheric pressure to yield the acid fluoride.(a) Methyl 1-(2-bromophenyl)cyclopropanecarboxylate (14)A solution of

Computed Properties

Molecular Weight:241.08
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:239.97859
Monoisotopic Mass:239.97859
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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