Soneclosan
Basic information
- CAS
3380-30-1- Standard SMILES
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1- InChIKey
BYNQFCJOHGOKSS-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O2
- Average molar mass
- 255.09 g/mol
- Monoisotopic mass
- 253.9901349
Overview
See also: 2-Hydroxy-4,4'-dichlorodiphenyl ether (annotation moved to); 5-chloro-2-(4-chlorphenoxy)phenol (DCPP) (annotation moved to).
Names & identifiers
- Preferred name
- Soneclosan
- IUPAC
- 5-chloro-2-(4-chlorophenoxy)phenol
- English name
- Hydroxydichlorodiphenyl ether
- Molecular formula
- C12H8Cl2O2
- Molecular weight
- 255.1
Names & synonyms
5-chloro-2-(4-chlorophenoxy)phenolSONECLOSANhydroxydichlorodiphenyl ether5-Chloro-2-(p-chlorophenoxy)phenolSoneclosan [INN]SnoclosanTinosan hp100Phenol, 5-chloro-2-(4-chlorophenoxy)-Phenol, 5-chloro-2-(p-chlorophenoxy)-814H7B74XKDTXSID80187464EC 429-290-0
Show more names
TinosanErosan, HP1004,4'-dichloro-2'-hydroxydiphenyl etherDiclosan(4,4'-Dichloro-2-hydroxydiphenylether)Tinosan? HP 100Naphthoic Acid Impurity 122-Hydroxy-4,4'-dichlordiphenyl ether
soneclosanumRefChem:888171DTXCID90109955HYDROXYDICHLORODIPHENYL ETHER [INCI]Phenol, 5-chloro-2-(4-chlorophenoxy)-(9CI)3380-30-1DICLOSANDiclosan-d4
Database identifiers
- CAS
3380-30-1- PubChem CID
- 18807
- DTXSID
DTXSID80187464- ChEMBL
CHEMBL1232142- UNII
- 814H7B74XK
- Nikkaji
- J1.192.014D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 50 · 50-53 °C
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.07 · 8.07±0.35(Predicted)
- color
- White to Off-White
- Water Solubility
- 19.5 mg/L · 19.5mg/L at 20℃
- Cosmetics Ingredients Functions
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Phenol, 5-chloro-2-(4-chlorophenoxy)-
Phenol, 5-chloro-2-(4-chlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Eye damage - category 1
Serious eye damage/eye irritation - Category 1
Eye Dam. 1
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDiclosan is used in the treatment of halogenated phenolic compounds by sequential tri-metal reduction and laccase-catalytic oxidation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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