CUPRIC BENZOATE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C7H5O2.Cu.2H2O
Molecular Weight	341.803
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.[Cu++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C2=CC=CC=C2

InChI

InChIKey=CMZRZTFZNBIXON-UHFFFAOYSA-L

InChI=1S/2C7H6O2.Cu.2H2O/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;2*1H2/q;;+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Cu
Molecular Weight	63.546
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://pyrodata.com/chemicals/Copper-benzoate
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/17397929 | https://echa.europa.eu/substance-information/-/substanceinfo/100.007.776

Cupric benzoate is the chemical compound derived from the cupric ion and the conjugate base of benzoic acid. Cupric benzoate is used in pyrotechnics to create a blue flame. This substance is harmful if swallowed and may cause respiratory irritation. Cupric benzoate complexes incorporating 2-(4'-thiazolyl)benzimidazole (thiabendazole), 2-(2-pyridyl)benzimidazole and 1,10-phenanthroline had demonstrated anticancer activities.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Synthesis, X-ray crystal structures and biomimetic and anticancer activities of novel copper(II)benzoate complexes incorporating 2-(4'-thiazolyl)benzimidazole (thiabendazole), 2-(2-pyridyl)benzimidazole and 1,10-phenanthroline as chelating nitrogen donor ligands.	2007-06	17397929
Effects of the Dzyaloshinskii-Moriya interaction on low-energy magnetic excitations in copper benzoate.	2003-05-23	12785925
Preparation of a chiral, 2-dimensional network containing metallacrown and copper benzoate building blocks.	2001-02-24	11196797
Magnetic properties of a quasi-one-dimensional S=1/2 antiferromagnet: Copper benzoate.	1996-02-01	9983764

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:22:35 GMT 2025` Edited by `admin` on `Mon Mar 31 21:22:35 GMT 2025`
Record UNII	HGU0F0G6VN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CUPRIC BENZOATE DIHYDRATE

Common Name

English

BENZOIC ACID COPPER (II) SALT DIHYDRATE

Preferred Name

English

BENZOIC ACID, COPPER(2+) SALT, DIHYDRATE

Common Name

English

BENZOIC ACID, COPPER(2+) SALT, HYDRATE (2:1:2)

Common Name

English

COPPER(II) BENZOATE DIHYDRATE

Systematic Name

English

BENZOIC ACID COPPER SALT DIHYDRATE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50209203