CAS 120638-55-3: Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3)
Description:Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3), with the CAS number 120638-55-3, is a chemical compound characterized by its structural features that include a benzene ring, an acetic acid moiety, and a bromobenzoyl group. This compound is a sodium salt, indicating that it is ionized in solution, which can enhance its solubility in water. The presence of the amino group suggests potential for hydrogen bonding and reactivity, making it useful in various chemical applications. The bromine substituent on the benzoyl group can influence the compound's electronic properties and reactivity, potentially making it a candidate for further chemical modifications or as an intermediate in synthetic pathways. As a hydrate, it contains water molecules in its crystalline structure, which can affect its stability and solubility. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as a reagent in organic synthesis, although specific applications would depend on its reactivity and interaction with other substances.
Formula:C15H12BrNO3H2O·Na
InChI:InChI=1S/C15H12BrNO3.Na.H2O/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;/h1-7H,8,17H2,(H,18,19);;1H2
InChI key:InChIKey=MMNRQFFNCWNLBZ-UHFFFAOYSA-N
SMILES:[Na].O=C(O)CC=1C=CC=C(C(=O)C2=CC=C(Br)C=C2)C1N.O
- Synonyms:
- 2-Amino-3-(4-bromobenzoyl)phenylacetic acid sodium salt
- Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt, hydrate (2:3)
- Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3)
- Sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate
- Sodium {2-Amino-3-[(4-Bromophenyl)Carbonyl]Phenyl}Acetate Hydrate
- Yellox
- [2-Amino-3-(4-Bromobenzoyl)Phenyl]Acetic Acid
