Hexachlorophene

CAT: 0024-sc-211587Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-211587Size:1 g

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CAS Number

70-30-4

Chemical Information

Hexachlorophene

Hexachlorophene is an organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. It has a role as an acaricide, an antibacterial agent, an antiseptic drug and an antifungal agrochemical. It is a polyphenol, a trichlorobenzene and a bridged diphenyl fungicide.

CAS Number	70-30-4
PubChem CID	3598
IUPAC Name	3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Molecular Formula	C13H6Cl6O2
Molecular Weight	406.9
XLogP	7.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	328

SMILES

C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl

InChI

InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2

InChIKey

ACGUYXCXAPNIKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70-30-4

CID: 3598

Formula: C13H6Cl6O2

MW: 406.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	406.9
XLogP3	7.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	405.846945
Monoisotopic Mass	403.849896
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	328
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-H290810-5G	Hexachlorophene
A16217-1000	Hexachlorophene 1000mg
S-2160	Hexachlorophene - 1ML
H2034-88K	Hexachlorophene (2,2’-Methylenebis-[3,4,6-trichlorophenol])
RESVOC052	SVOC Std Hexachlorophene 2000ug/mL in DCM - 1ML
RESVOC051	SVOC Std Hexachlorophene 1000ug/mL in DCM - 1ML
MBS6025912-01	Hexachlorophene (2,2'-Methylenebis-[3,4,6-trichlorophenol])

Hexachlorophene

Chemical Information

Alternative Products

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