3,5-DIBROMO-4-METHOXYBENZOIC ACID Chemical Properties

Melting point:

224 °C

Boiling point:

365.2±42.0 °C(Predicted)

Density 

1.957±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

Solid

pka

3.69±0.10(Predicted)

color 

White to off-white

InChI

InChI=1S/C8H6Br2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)

InChIKey

NAHPGFGVWWKSFU-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(Br)=C(OC)C(Br)=C1

CAS DataBase Reference

4073-35-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2918999090

3,5-DIBROMO-4-METHOXYBENZOIC ACID Usage And Synthesis

Uses

3,5-Dibromo-4-methoxybenzoic acid (3,5-Dibromo-p-anisic acid) is a brominated alkaloid that can be isolated from sponges such as Amphimedon sp. and Psammaplysilla purpurea[1][2].

References

[1] Campos P E, et al. Amphimedonoic acid and psammaplysene E, novel brominated alkaloids from Amphimedon sp[J]. Tetrahedron Letters, 2017, 58(40): 3901-3904.
[2] Kallscheuer N, et al. The bacterial phylum Planctomycetes as novel source for bioactive small molecules[J]. Biotechnology advances, 2021, 53: 107818. DOI:10.1016/j.biotechadv.2021.107818

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