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(5-bromo-2-nitrophenyl)methanol

(5-bromo-2-nitrophenyl)methanol structure

(5-bromo-2-nitrophenyl)methanol 

structure
  • CAS No:

    1241894-37-0

  • Formula:

    C7H6BrNO3

  • Chemical Name:

    (5-bromo-2-nitrophenyl)methanol

  • Synonyms:

    (5-BROMO-2-NITROPHENYL)METHANOL;5-Bromo-2-nitrobenzyl alcohol;Benzenemethanol, 5-bromo-2-nitro-;5-bromo-2-nitrobenzenemethanol;SCHEMBL16951743;ZINC95496026;AKOS017561258;PS-10575;SC-36576;DB-129274

(5-bromo-2-nitrophenyl)methanol Basic Attributes

232.03144

230.953

Characteristics

66

1.4

Safety Information

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 90 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(5-bromo-2-nitrophenyl)methanol Use and Manufacturing

5-Bromo-2-nitrobenzoic acid (2 g, 10 mmol) was dissolved in THF and BHTo a solution of 5-bromo-2-nitrobenzoic acid (280 g, 1.14 mol, 1.0 eq.) in THF (1.5 L) was added 10 M solution of BH(1) Take 20mL of concentrated nitric acid, stirred in an ice bath to 0 ° C, pipette 25mL of concentrated sulfuric acid, 20min stirring in an ice bath, then add 10g m-bromobenzaldehyde. Stir at room temperature for 4 h, add a small amount of water and adjust pH to 3-4 with NaOH. Then extracted three times with ethyl acetate, the organic phase was concentrated by evaporation to give the product 1; the product 1 was dissolved in 25mL of methanol, 2g of sodium borohydride was added in portions under ice bath and stirred at room temperature for 2h. The reaction mixture was added 20mL of water, then extracted with 20mL of ethyl acetate three times, the organic phase combined, dried over anhydrous sodium sulfate and concentrated by evaporation. The crude product was purified by column to afford 11.29g of product 2 in 90percent yield;

Computed Properties

Molecular Weight:232.03
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:230.95311
Monoisotopic Mass:230.95311
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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