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Home > Encyclopedia > 2-Bromo-4-iodobenzoic acid

2-Bromo-4-iodobenzoic acid

2-Bromo-4-iodobenzoic acid structure

2-Bromo-4-iodobenzoic acid 

structure
  • CAS No:

    28547-29-7

  • Formula:

    C7H4BrIO2

  • Chemical Name:

    2-Bromo-4-iodobenzoic acid

  • Synonyms:

    Benzoic acid,2-bromo-4-iodo-;2-Bromo-4-iodobenzoic acid

2-Bromo-4-iodobenzoic acid Basic Attributes

326.91393

326.91

DTXSID80606322

2916399090

Characteristics

37.3

2.9

2.3±0.1 g/cm3

169.7±26.5 °C

1.693

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Bromo-4-iodobenzoic acid Use and Manufacturing

(1 g, 3.06 mmol) was added to an eggplant-shaped flask, and dried dichloromethane was added.Thionyl chloride (433 mg, 3.67 mmol) and N, N-dimethylformamide (catalytic amount) were added dropwise. Heat to reflux and stir for 3 hours. After completion of the reaction, the mixture was cooled to room temperature, and the reaction solution was slowly poured into iced aqueous ammonia and stirred at room temperature for 2 hours. The aqueous phase was extracted three times with dichloromethane, and the organic phase was combined, dried over anhydrous sodium sulfate, concentration on a rotary evaporator and purification on a silica gel column gave 400 mg of the title compound. (1 g, 3.06 mmol) was added to an eggplant-shaped flask, and dried dichloromethane was added. Thionyl chloride (433 mg, 3.67 mmol) and N, N-dimethylformamide (catalyticamount) were added dropwise. Heat to reflux and stir for 2 hours. After completion of the reaction, the mixture was cooled to room temperature, and dimethylamine (3.1 ml, 6.06 mmol) was added dropwise. After thecompletion of the reaction, the aqueous phase was extracted with EtOAcconcentrate on a rotary evaporator and purify on a silica gel column to obtain the target compound 550mg

Computed Properties

Molecular Weight:326.91
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:325.84394
Monoisotopic Mass:325.84394
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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