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4073-35-2

4073-35-2 Structure

4073-35-2 Structure
IdentificationMore
[Name]

3,5-DIBROMO-4-METHOXYBENZOIC ACID
[CAS]

4073-35-2
[Synonyms]

RARECHEM AL BO 0304
3,5-DIBROMO ANISIC ACID
3,5-DIBROMO-4-ANISIC ACID
3,5-DIBROMO-4-METHOXYBENZOIC ACID
Benzoic acid, 3,5-dibromo-4-methoxy-
[Molecular Formula]

C8H6Br2O3
[MDL Number]

MFCD00016511
[Molecular Weight]

309.94
[MOL File]

4073-35-2.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2918999090
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIBROMO-4-METHOXYBENZOIC ACID(4073-35-2)1HNMR
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