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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10ClO.Na
Molecular Weight 240.661
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOROPHENE SODIUM

SMILES

[Na+].[O-]C1=C(CC2=CC=CC=C2)C=C(Cl)C=C1

InChI

InChIKey=IKTQYDFRYXBKPM-UHFFFAOYSA-M
InChI=1S/C13H11ClO.Na/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10;/h1-7,9,15H,8H2;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C13H10ClO
Molecular Weight 217.671
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Chlorophene is a halogenated phenolic compound that functions as a biocide and preservative in cosmetics. In Europe, the maximum authorized concentration allowed for Chlorophene is 0.2%. The glucuronic acid conjugate, the sulfate ester conjugate, and two other minor metabolites of Chlorophene were profiled in rat urine during pharmacokinetic tests. Chlorophene is incompletely absorbed through rat skin. In several anumal species these chemicals exhibited low oral toxicity. Some evidence of toxicity was found in short-term oral toxicity studies in mice and rats with nephropathy as the principal finding. Rats and mice dosed with Chlorophene for 2 years had a dose-related and sex-related increase in the severity of nephropathy. In another set of animal tests Chlorophene was found to be an ocular irritant. There was no readily available inhalation profile for Chlorophene. Chlorophene was severely irritating to rabbits in most dermal irritation studies. Chlorophene was found to be mutagenic in four in-vitro mammalian test systems. However, neoplasms were not observed in rats treated with Chlorophene for 2 years but, in mice treated similarly a significant incidence of neoplasms was observed. A 1-year National Toxicology Program (NTP) study concluded that Chlorophene was a cutaneous irritant and a weak skin tumor promoter but had no activity as an initiator or complete carcinogen. Some reactions to Chlorophene occurred in some, but not all, clinical dermal sensitization tests.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Disposition of o-benzyl-p-chlorophenol in male rats.
1986
Prechronic toxicity of o-benzyl-p-chlorophenol in rats and mice.
1986 Nov
Contact hypersensitivity response to o-benzyl-p-chlorophenol in mice.
1991
Chronic nephropathy and renal carcinogenicity of o-benzyl-p-chlorophenol in F344/N rats and B6C3F1 mice.
1995 Sep
Determination of phenolic disinfectant agents in commercial formulations by liquid chromatography.
2001 May-Jun
In vitro cytotoxicity assessment of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol using established fish cell lines.
2006 Oct
Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography.
2008 Oct
Single-laboratory validation of a method for the determination of phenols and phenates in disinfectant formulations by liquid chromatography with UV detection.
2010 May-Jun
Activity profiles of 309 ToxCastâ„¢ chemicals evaluated across 292 biochemical targets.
2011 Mar 28
Patents

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 Sat Dec 16 08:18:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:44 GMT 2023
Record UNII
UA49119C48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOROPHENE SODIUM
Common Name English
SODIUM 2-BENZYL-4-CHLOROPHENATE
Common Name English
PHENOL, 4-CHLORO-2-(PHENYLMETHYL)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-681-2
Created by admin on Sat Dec 16 08:18:44 GMT 2023 , Edited by admin on Sat Dec 16 08:18:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID7035644
Created by admin on Sat Dec 16 08:18:44 GMT 2023 , Edited by admin on Sat Dec 16 08:18:44 GMT 2023
PRIMARY
FDA UNII
UA49119C48
Created by admin on Sat Dec 16 08:18:44 GMT 2023 , Edited by admin on Sat Dec 16 08:18:44 GMT 2023
PRIMARY
PUBCHEM
23669620
Created by admin on Sat Dec 16 08:18:44 GMT 2023 , Edited by admin on Sat Dec 16 08:18:44 GMT 2023
PRIMARY
CAS
3184-65-4
Created by admin on Sat Dec 16 08:18:44 GMT 2023 , Edited by admin on Sat Dec 16 08:18:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY