CAS No.53-19-0,Mitotan Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53-19-0
Name:	Mitotan
Article Data:	12

Formula:	C₁₄H₁₀Cl₄
Molecular Weight:	320.045
Synonyms:	1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane;1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane;1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane;2,4'-Dichlorodiphenyldichloroethane;2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane;CB 313;Chloditan;Chlodithane;Lysodren;Mitotane;NSC 38721;Opeprim;o,p'-DDD;o,p'-Dichlorodiphenyldichloroethane;o,p'-TDE;
EINECS:	200-166-6
Density:	1.372 g/cm³
Melting Point:	77-78 °C(lit.)
Boiling Point:	398.9 °C at 760 mmHg
Flash Point:	194.2 °C
Solubility:	<0.1 g/100 mL at 24℃
Appearance:	Crystalline Solid
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	36/37
PSA:	0.00000
LogP:	5.92900

Synthetic route

: 24123-67-9
2,2‐dichloro‐1‐(2‐chlorophenyl)ethan‐1‐one

: 108-90-7
chlorobenzene

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
Stage #1: 2,2‐dichloro‐1‐(2‐chlorophenyl)ethan‐1‐one With sodium tetrahydroborate In methanol at 20℃; for 0.333333h; Schlenk technique; Inert atmosphere; Stage #2: chlorobenzene With sulfuric acid at 20℃; for 0.166667h;	89%

: 27683-60-9
2,2-dichloro-1-(2-chlorophenyl)ethanol

: 108-90-7
chlorobenzene

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
With sulfuric acid at 35℃; for 6h;	71%
With sulfuric acid at 30 - 60℃;
With sulfuric acid; sulfur trioxide

: 789-02-6
o,p'-DDT

A: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

B: 60617-89-2
1-(4-chlorophenyl)-1-phenylethane

C: 77008-62-9
1-(o-chlorophenyl)-1-(p-chlorophenyl)ethane

D: 76690-79-4
1-(2-chloro-phenyl)-1-phenyl-ethane

Conditions

Conditions	Yield
With hydrogen; triethylamine; palladium on activated charcoal In methanol at 20℃; for 0.166667h;	A 25% B n/a C 42% D n/a

...Expand

: 50-29-3
p,p'-DDT

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

: 789-02-6
o,p'-DDT

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
With aluminium amalgam In ethanol

: 789-02-6
o,p'-DDT

A: 13312-58-8
1-chloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane

B: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
With sodium tetrahydroborate In dimethyl sulfoxide

: 7664-93-9
sulfuric acid

: 27683-60-9
2,2-dichloro-1-(2-chlorophenyl)ethanol

: 108-90-7
chlorobenzene

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
at 30 - 60℃;

...Expand

: 36692-27-0
2-chlorophenylmagnesium bromide

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether 2: concentrated H2SO4 / 30 - 60 °C View Scheme

: 108-90-7
chlorobenzene

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2SO4 View Scheme
Multi-step reaction with 2 steps 1: H2SO4 View Scheme

: 10291-39-1
2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol

: 53-19-0
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Al-Hg, iPrOH 2: SO3/H2SO4 View Scheme

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Consensus Reports

NCI Carcinogenesis Studies (ipr); Equivocal Evidence: mouse, rat CANCAR Cancer. 40 (1977),1935. . EPA Genetic Toxicology Program.

Specification

The Chlodithane is an organic compound with the formula C₁₄H₁₀Cl₄. The IUPAC name of this chemical is 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene. With the CAS registry number 53-19-0, it is also named as Benzene, 1-chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)-. The product's categories are Organics; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a crystalline solid, which should be stored in a closed dark and dry place. It is used to treat pituitary-dependent Cushing's syndrome in canines. The medication is used in the controlled destruction of adrenal tissue, leading to a decrease in cortisol production.

Physical properties about Chlodithane are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7332.84; (6)ACD/BCF (pH 7.4): 7332.84; (7)ACD/KOC (pH 5.5): 20340.07; (8)ACD/KOC (pH 7.4): 20340.07; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 79.65 cm³; (12)Molar Volume: 233.1 cm³; (13)Polarizability: 31.57×10^-24cm³; (14)Surface Tension: 44.6 dyne/cm; (15)Density: 1.372 g/cm³; (16)Flash Point: 194.2 °C; (17)Enthalpy of Vaporization: 62.42 kJ/mol; (18)Boiling Point: 398.9 °C at 760 mmHg; (19)Vapour Pressure: 3.28E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by chlorobenzene and 2,2-dichloro-1-(2-chloro-phenyl)-ethanol. This reaction will need reagent concentrated H₂SO₄. The reaction temperature is 30 - 60 °C. The yield is about 78%.

Uses of Chlodithane: it can be used to produce (2-chloro-phenyl)-(4-chloro-phenyl)-methane by heating. It will need reagent KOH and solvent ethane-1,2-diol with reaction time of 6 hours. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
It has limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(c2ccc(Cl)cc2)C(Cl)Cl
(2)InChI: InChI=1/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
(3)InChIKey: JWBOIMRXGHLCPP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
(5)Std. InChIKey: JWBOIMRXGHLCPP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	> 5gm/kg (5000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 26, Pg. 309, 1984.
man	TDLo	oral	17gm/kg/35W (17000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Cancer Vol. 42, Pg. 2177, 1978.
mouse	LD50	oral	> 4gm/kg (4000mg/kg)		Pharmaceutical Chemistry Journal Vol. 11, Pg. 1298, 1977.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 26, Pg. 309, 1984.
women	TDLo	oral	800mg/kg/4D (800mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Cancer Vol. 42, Pg. 2177, 1978.
women	TDLo	oral	11gm/kg/15W (11000mg/kg)	VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION BLOOD: NORMOCYTIC ANEMIA BLOOD: PIGMENTED OR NUCLEATED RED BLLOD CELLS	Cancer Vol. 42, Pg. 2177, 1978.
women	TDLo	oral	14gm/kg/22W (14000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Cancer Vol. 42, Pg. 2177, 1978.