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Trichlorosan

CAT: 0926-FT02357-02Size: 50 gDry Ice: NoHazardous: No
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CAS Number
3380-34-5
Synonyms
5-Chloro-2- (2,4-dichloro-3,5,6-d3-phenoxy) phenol;2,4,4'-Trichloro-2'-hydroxydiphenyl ether
MDL Number
MFCD00800992
Smiles
C1=CC (=C (C=C1Cl) O) OC2=C (C=C (C=C2) Cl) Cl
Molecular Formula
C12H7Cl3O2
Molecular Weight
289.54 g/mol
Controlled
No

Chemical Information

Triclosan

Triclosan is an aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. It has a role as an EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor, a fungicide, an antibacterial agent, a xenobiotic, an antimalarial, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, a persistent organic pollutant and a drug allergen. It is a dichlorobenzene, a member of phenols, an aromatic ether and a member of monochlorobenzenes.

CAS Number3380-34-5
PubChem CID5564
IUPAC Name5-chloro-2-(2,4-dichlorophenoxy)phenol
Molecular FormulaC12H7Cl3O2
Molecular Weight289.5
XLogP5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity252
SMILES
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChIKey
XEFQLINVKFYRCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triclosan
CAS: 3380-34-5
CID: 5564
Formula: C12H7Cl3O2
MW: 289.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass287.951163
Monoisotopic Mass287.951163
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
289669-01Trichlorosan discontinued. See I8610-75
I8610-75-01Irgasan (5-Chloro-2- (2,4-dichlorophenoxy) phenol, Triclosan, Trichlorosan)

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