CAS No.70-30-4,2,2'-Methylenebis(3,4,6-trichlorophenol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70-30-4
Name:	2,2'-Methylenebis(3,4,6-trichlorophenol)
Article Data:	22

Formula:	C₁₃H₆Cl₆O₂
Molecular Weight:	406.907
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;
EINECS:	200-733-8
Density:	1.714 g/cm³
Melting Point:	163-165 °C(lit.)
Boiling Point:	470.928 °C at 760 mmHg
Flash Point:	238.609 °C
Solubility:	Insoluble in water
Appearance:	Off-white crystalline solid
Hazard Symbols:	T,N,F
Risk Codes:	50/53-52-39/23/24/25-11
Safety:	20-45-60-61-36/37
Transport Information:	UN 2875 6.1/PG 3
PSA:	40.46000
LogP:	6.60900

Synthetic route

: 50-00-0
formaldehyd

: 95-95-4
2,4,5-trichlorophenol

: 70-30-4
hexachlorophene

Conditions

Conditions	Yield
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

...Expand

: 70-30-4
hexachlorophene

: 74-88-4
methyl iodide

: 4936-91-8
bis(2,3,5-trichloro-6-methoxyphenyl)methane

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Raw Materials

50-00-0

7664-93-9

95-95-4

Downstream Products

2467-02-9

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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.

Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

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.