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Hexachlorophene

Hexachlorophene structure

CAS No:
70-30-4
Formula:
C13H6Cl6O2
Chemical Name:
Hexachlorophene
Synonyms:
Phenol,2,2′-methylenebis[3,4,6-trichloro-;2,2′-Methylenebis[3,4,6-trichlorophenol];AT 7;G 11 (bactericide);Almederm;Bis(3,5,6-trichloro-2-hydroxyphenyl)methane;2,2′-Dihydroxy-3,3′,5,5′,6,6′-hexachlorodiphenylmethane;2,2′-Dihydroxy-3,5,6,3′,5′,6′-hexachlorodiphenylmethane;Exofene;Fostril;Gamophen;Gamophene;Germa-Medica;Hexachlorophen;Hexachlorophene;Hexophene;Hexosan;Septisol;Steral;Surgi-Cen;Surofene;Nabac;Bis(2-hydroxy-3,5,6-trichlorophenyl)methane;Neosept V;pHisoHex;Cotofilm;2,2′,3,3′,5,5′-Hexachloro-6,6′-dihydroxydiphenylmethane;B 32;Ritosept;Hexachlorofen;Acigena;Tersaseptic;Hexabalm;Septofen;Hexafen;Steraskin;Distodin;Fesia-sin;G 11;Dermadex;Bilevon;Soy-Dome;NSC 49115;NSC 9887;139411-96-4;8054-98-6;1195388-85-2
Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs

Description

Hexachlorophene(Hexachlorofen) is a potent KCNQ1/KCNE1 potassium channel activator with EC50 of 4.61 ± 1.29 μM; also is an inhibitor of Wnt/beta-catenin signaling.IC50 value: 4.61 ± 1.29 μM(EC50) [1]Target: KCNQ1 activatorin vitro: HCP potently increases the current amplitude of KCNQ1/KCNE1 expressed by stabilizing the channel in an open state with an EC(50) of 4.61 ± 1.29 μM. Further studies in cardiomyocytes showed that HCP significantly shortens the action potential duration at 1 μM.

Hexachlorophene Basic Attributes

Molecular Weight：

406.9

Exact Mass：

406.90

EC Number：

200-733-8

HScode：

2907299010

Characteristics

PSA：

40.5

XLogP3：

7.54 (calculated)

Appearance：

off-white to tan crystalline

Density：

1.7±0.1 g/cm3

Melting Point：

164-165 °C

Boiling Point：

479 °C

Flash Point：

11 °C

Refractive Index：

1.670

Water Solubility：

H2O: 19mg/L(25 ºC)

Storage Conditions：

2-8°C

Vapor Pressure：

8.3X10-11 mm Hg at 25 deg C (est)

Toxicity：

Oral-rat LD50: 56 mg/kg; Oral-Mouse LD50: 67 mg/kg

Flammability characteristics：

Flammable; decomposes toxic chloride gas when heated

Odor：

ODORLESS OR HAS ONLY SLIGHTLY PHENOLIC ODOR

Taste：

Tasteless

PKA：

4.95None

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2875 6.1/PG 3

wgk germany：

hazard class code：

24/25-50/53-52/53-39/23/24/25-23/24/25-11-51/53

safety instructions：

20-37-45-60-61-36/37-16

RTECS Number：

SM0700000

Marks：

T,N,F

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Stability/Shelf Life：

Stable. Incompatible with alkalies, akaline earths, tweens, strong oxidizers.

Precautionary statement(s)：

P210-P260-P273-P280-P301 + P310-P311

Hazard Statements：

H225-H301 + H311 + H331-H370-H411

Toxicity

Toxicity class：

highly toxic

Hexachlorophene Use and Manufacturing

antiinfective (topical)

Computed Properties

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
Heavy Atom Count:21
Complexity:328
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Paraformaldehyde

Formaldehyde

Sulfuric acid