Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Hexachlorophene

Related Products

Hot Products

Name

Hexachlorophene

EINECS 200-733-8
CAS No. 70-30-4 Density 1.714 g/cm3
PSA 40.46000 LogP 6.60900
Solubility Insoluble in water Melting Point 163-165 °C(lit.)
Formula C13H6Cl6O2 Boiling Point 470.928 °C at 760 mmHg
Molecular Weight 406.907 Flash Point 238.609 °C
Transport Information UN 2875 6.1/PG 3 Appearance Off-white crystalline solid
Safety 20-45-60-61-36/37 Risk Codes 50/53-52-39/23/24/25-11
Molecular Structure Molecular Structure of 70-30-4 (2,2'-Methylenebis(3,4,6-trichlorophenol)) Hazard Symbols ToxicT,DangerousN,FlammableF
Synonyms

Germa-Medica;Hexachlorofen;2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane;2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane;2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane;2,2'-Methylenebis[3,4,6-trichlorophenol];Bis(2-hydroxy-3,5,6-trichlorophenyl)methane;Bis(3,5,6-trichloro-2-hydroxyphenyl)methane;

Article Data 22

Hexachlorophene Synthetic route

50-00-0

formaldehyd

95-95-4

2,4,5-trichlorophenol

70-30-4

hexachlorophene

Conditions
ConditionsYield
With sulfuric acid at 0 - 5℃;
With sulfuric acid at 65 - 135℃;
With sulfuric acid
With sulfuric acid In methanol; water
50-00-0

formaldehyd

7664-93-9

sulfuric acid

95-95-4

2,4,5-trichlorophenol

70-30-4

hexachlorophene

70-30-4

hexachlorophene

74-88-4

methyl iodide

4936-91-8

bis(2,3,5-trichloro-6-methoxyphenyl)methane

Conditions
ConditionsYield
With potassium carbonate In acetone for 14h;85%
70-30-4

hexachlorophene

18961-95-0

p-tolyl phosphorodichloridothionate

1,2,4,8,10,11-Hexachloro-6-p-tolyloxy-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-sulfide

Conditions
ConditionsYield
With triethylamine In toluene at 60℃; for 8h;66%
690-12-0

(2-chloroethyl)phosphonic dichloride

70-30-4

hexachlorophene

6-(2'-chloroethyl)-1,2,4,8,10,11-hexachloro-12H-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide

Conditions
ConditionsYield
With triethylamine In toluene at 0 - 55℃;65%
70-30-4

hexachlorophene

91674-47-4

2-methylpheylphosphorodichloridate

1,2,4,8,10,11-Hexachloro-6-o-tolyloxy-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-sulfide

Conditions
ConditionsYield
With triethylamine In toluene at 60℃; for 8h;64%
70-30-4

hexachlorophene

165064-39-1

dichlorothiophosphoric acid O-m-tolyl ester

1,2,4,8,10,11-Hexachloro-6-m-tolyloxy-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-sulfide

Conditions
ConditionsYield
With triethylamine In toluene at 60℃; for 8h;62%
70-30-4

hexachlorophene

4797-12-0

4-chlorophenyl-carbamidophosphoric acid dichloride

N-chlorophenyl-N'-[1,2,4,8,10,11-hexachloro-6-oxido-12H-dibenzo[d,g]-1,3,2-dioxaphosphocin-6-yl]urea

Conditions
ConditionsYield
With triethylamine In toluene at 45 - 50℃; for 5h;62%
70-30-4

hexachlorophene

18961-96-1

O-phenylphosphorodichloridothioate

1,2,4,8,10,11-Hexachloro-6-phenoxy-12H-5,7-dioxa-6-phospha-dibenzo[a,d]cyclooctene 6-sulfide

Conditions
ConditionsYield
With triethylamine In toluene at 60℃; for 8h;61%
70-30-4

hexachlorophene

603964-78-9

C8H8Cl3N2O2P

1-(2-chloromethyl-phenyl)-3-(1,2,4,8,10,11-hexachloro-6-oxo-12H-5,7-dioxa-6λ5-phospha-dibenzo[a,d]cycloocten-6-yl)-urea

Conditions
ConditionsYield
With triethylamine In toluene at 45 - 50℃; for 5h;61%

Hexachlorophene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 20 , 1979,p. 241.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); No Evidence: rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-40 ,1978. . Reported in EPA TSCA Inventory. Chlorophenols are on the Community Right-To-Know List.

Hexachlorophene Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

Hexachlorophene Specification

The Hexachlorophene, with the CAS registry number 70-30-4, is also known as 2,2'-Methylenebis(3,4,6-trichlorophenol). It belongs to the product categories of Organics; Intermediates & Fine Chemicals; Pharmaceuticals; HA -HTEPA; Method 8270Cosmetics; Other Additives; 8000 Series Solidwaste Methods; Allergens; Alpha Sort; E-LAlphabetic; H; Volatiles/ Semivolatiles. Its EINECS registry number is 200-733-8. This chemical's molecular formula is C13H6Cl6O2 and molecular weight is 406.90. What's more, its IUPAC name is 3,4,6-Trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol. It is slight off-white crystalline solid. Additionally, it should be preserved under 2-8 °C.

Physical properties about Hexachlorophene: (1)ACD/LogP: 7.169; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 5.81; (5)ACD/BCF (pH 5.5): 149646.30; (6)ACD/BCF (pH 7.4): 7296.09; (7)ACD/KOC (pH 5.5): 171215.80; (8)ACD/KOC (pH 7.4): 8347.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 88.701 cm3; (15)Molar Volume: 237.399 cm3; (16)Polarizability: 35.164×10-24cm3; (17)Surface Tension: 61.0390014648438 dyne/cm; (18)Density: 1.714 g/cm3; (19)Flash Point: 238.609 °C; (20)Enthalpy of Vaporization: 76.161 kJ/mol; (21)Boiling Point: 470.928 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C; (22)Melting point: 163-165 °C(lit.).

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and present an immediate or delayed danger to one or more components of the environment. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In addition, it has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. The production is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should keep container tightly closed and you should wear suitable protective clothing and gloves. What's more, you must keep away from sources of ignition and avoid releasing to the environment. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(O)c(Cl)cc1Cl)Cc2c(O)c(Cl)cc(Cl)c2Cl
(2) 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
(3) InChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child LDLo oral 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Medical Journal of Australia. Vol. 1, Pg. 737, 1963.
dog LDLo intravenous 5mg/kg (5mg/kg) BLOOD: CHANGE IN CLOTTING FACTORS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Surgery. Vol. 24, Pg. 542, 1948.
dog LDLo oral 40mg/kg (40mg/kg)   Veterinarski Arhiv. Veterinary Archives. Vol. 35, Pg. 35, 1965.
domestic animals - goat/sheep LD50 oral 30mg/kg (30mg/kg)   Annals of the New York Academy of Sciences. Vol. 320, Pg. 426, 1979.
guinea pig LD50 oral 60mg/kg (60mg/kg)   Drugs in Japan Vol. 6, Pg. 742, 1982.
guinea pig LD50 skin 1100mg/kg (1100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(10), Pg. 26, 1982.
guinea pig LDLo intraperitoneal 25mg/kg (25mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 163, Pg. 210, 1966.
infant TDLo oral 257mg/kg/7D-I (257mg/kg) VASCULAR: SHOCK

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
American Journal of Diseases of Children. Vol. 111, Pg. 333, 1966.
mouse LC50 inhalation 290mg/m3 (290mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(8), Pg. 25, 1984.
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Zentralblatt fuer Bakteriologie, Parasitenkunde, Infektionskrankheiten und Hygiene, Abteilung 1: Originale, Reihe A: Medizinische Mikrobiologie und Parasitologie. Vol. 234, Pg. 110, 1976.
mouse LD50 oral 67mg/kg (67mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: FATTY LIVER DEGERATION
Chinese Medical Journal Vol. 82, Pg. 691, 1963.
mouse LD50 skin 270mg/kg (270mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(10), Pg. 26, 1982.
mouse LD50 subcutaneous 46mg/kg (46mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 16, Pg. 13, 1961.
rabbit LD50 intravenous 8500ug/kg (8.5mg/kg)   Journal of the Society of Cosmetic Chemists. Vol. 20, Pg. 173, 1969.
rabbit LD50 oral 40690ug/kg (40.69mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 20, Pg. 413, 1979.
rat LC50 inhalation 340mg/m3 (340mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(8), Pg. 25, 1984.
rat LD50 intraperitoneal 22mg/kg (22mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Toxicology and Applied Pharmacology. Vol. 24, Pg. 239, 1973.
rat LD50 intravenous 7500ug/kg (7.5mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 25, Pg. 332, 1973.
rat LD50 oral 56mg/kg (56mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 25, Pg. 332, 1973.
rat LD50 skin 1840mg/kg (1840mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(10), Pg. 26, 1982.
rat LD50 subcutaneous 7650ug/kg (7.65mg/kg)   Industrial Medicine and Surgery. Vol. 38, Pg. 64, 1969.
women TDLo oral 600mg/kg (600mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION
JAMA, Journal of the American Medical Association. Vol. 181, Pg. 587, 1962.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 70-30-4