CAS No.569-57-3,CHLOROTRIANISENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	569-57-3
Name:	CHLOROTRIANISENE
Article Data:	6

Formula:	C23H21 Cl O3
Molecular Weight:	380.871
Synonyms:	Chlorotrianisene(6CI); Ethylene, chlorotris(p-methoxyphenyl)- (7CI,8CI); Anisene; Chlorotris(p-methoxyphenyl)ethylene;Chlortrianizen; Clorestrolo; Clorotrisin; Hormonisene; Khlortrianizen;Merbentul; Metace; NSC 10108; Rianil; Tace; Tace (pharmaceutical);Tri-p-anisylchloroethylene; Trianisylchloroethylene;Tris(p-methoxyphenyl)chloroethylene
Density:	1.168g/cm³
Melting Point:	114-116oC
Boiling Point:	514.2°Cat760mmHg
Flash Point:	164.1°C
Safety:	Suspected human carcinogen with experimental tumorigenic data. Human reproductive effects by ingestion: changes in fertility. Used in cancer treatment. When heated to decomposition it emits very toxic fumes of Cl⁻.
PSA:	27.69000
LogP:	5.86780

Synthetic route

: 7109-27-5
1,1,2-tris(4-methoxyphenyl)ethene

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
With tetrachloromethane; chlorine

: 61161-13-5
4'-methoxy-2,2-bis(p-methoxyphenyl)acetophenone

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
With phosphorus pentachloride; toluene

: 90-96-0
bis(p-methoxyphenyl)methanone

: 86457-76-3
Dimethyl 1-chloro-1-(4-methoxyphenyl)methanephosphonate

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
With tert.-butyl lithium 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux; Yield given. Multistep reaction;

: 72-43-5
Methoxychlor

: 100-66-3
methoxybenzene

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
With aluminium trichloride In carbon disulfide

: 25354-46-5
1-bromo-1,2,2-tris(p-methoxyphenyl)ethene

A: 90-96-0
bis(p-methoxyphenyl)methanone

B: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride In dimethyl sulfoxide for 0.333333h; Ambient temperature; Irradiation; Yields of byproduct given;	A 21 % Chromat. B n/a

: 56-23-5
tetrachloromethane

: 7109-27-5
1,1,2-tris(4-methoxyphenyl)ethene

: 7782-50-5
chlorine

: 569-57-3
chlorotrianisene

...Expand

: 17105-65-6
dimethyl 4-methoxybenzylphosphonate

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 1.) tert-butyllithium / 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux View Scheme

: 824-94-2
p-methoxybenzyl chloride

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 59 percent / Heating 3: 1.) tert-butyllithium / 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux View Scheme

: 90-96-0
bis(p-methoxyphenyl)methanone

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diethyl ether; benzene 2: 10 - 20 Torr View Scheme
Multi-step reaction with 3 steps 1: diethyl ether; benzene 2: aminosulfonic acid / 10 - 20 Torr View Scheme
Multi-step reaction with 3 steps 1: diethyl ether; benzene 2: 10 - 20 Torr 3: tetrachloromethane; chlorine View Scheme
Multi-step reaction with 3 steps 1: diethyl ether; benzene 2: aminosulfonic acid / 10 - 20 Torr 3: tetrachloromethane; chlorine View Scheme

: 14062-18-1
ethyl p-methoxyphenylacetate

: 569-57-3
chlorotrianisene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diethyl ether 2: aminosulfonic acid / 10 - 20 Torr View Scheme
Multi-step reaction with 3 steps 1: diethyl ether 2: 10 - 20 Torr View Scheme
Multi-step reaction with 3 steps 1: diethyl ether 2: aminosulfonic acid / 10 - 20 Torr 3: tetrachloromethane; chlorine View Scheme
Multi-step reaction with 3 steps 1: diethyl ether 2: 10 - 20 Torr 3: tetrachloromethane; chlorine View Scheme

Total:33 Page 1 of 1 1

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Chemistry

Molecular Structure of Chlorotrianisene (CAS NO. 569-57-3):

EINECS: 209-318-6
IUPAC Name: 1-[1-Chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
Molecular Formula: C₂₃H₂₁ClO₃
Molecular Weight: 380.864040 g/mol
XLogP3-AA: 6.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKey: BFPSDSIWYFKGBC-UHFFFAOYSA-N
Index of Refraction: 1.591
Molar Refractivity: 110.21 cm³
Molar Volume: 325.8 cm³
Surface Tension: 41.1 dyne/cm
Density: 1.168 g/cm³
Flash Point: 164.1 °C
Enthalpy of Vaporization: 75.61 kJ/mol
Boiling Point: 514.2 °C at 760 mmHg
Vapour Pressure: 3.57E-10 mmHg at 25 °C
Water Solubility: 0.01956 mg/L at 25 °C

Toxicity Data With Reference

orl-rat TDLo:37 mg/kg/2Y-C:ETA

TXAPA9 Toxicology and Applied Pharmacology. 11 (1967),489.

Consensus Reports

IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 139.(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 Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 139.(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) .

Safety Profile

Safety Information of Chlorotrianisene (CAS NO. 569-57-3):
WGK Germany: 3
RTECS: KV0600000
Suspected human carcinogen with experimental tumorigenic data. Human reproductive effects by ingestion: changes in fertility. Used in cancer treatment. When heated to decomposition it emits very toxic fumes of Cl⁻.

Specification

Chlorotrianisene with cas registry number of 569-57-3 is a synthetic estrogen, also known as 1,1',1''-(1-Chloro-1-ethenyl-2-ylidene)-tris(4-methoxybenzene) ; 4-06-00-07650 (Beilstein Handbook Reference) ; Anisene ; Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)- ; Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy- ;Benzene, 1,1',1'-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)- ; CCRIS 4769 ; CTA ; Chlorotrianisene [Nonsteroidal oestrogens] ; Chlorotrianisene [INN:BAN] ; Chloortrianisestrol ; Chlorestrolo ; Chlorotrianisenum ; Chlorotrianisenum [INN-Latin] ; Chlorotrianisine ; Chlorotrianizen ; Chlorotris(p-methoxyphenyl)ethylene ; Chlorotrisin ; Chlortrianisen ; Chlortrianisene ; Chlortrianisenum ; Chlortrianisestrol ; Chlortrianisoestrolum ; Chlortrianizen ; Clorestrolo ; Clorotrianisene ; Clorotrianisene [DCIT] ; Clorotrianiseno ; Clorotrianiseno [INN-Spanish] ; Clorotrisin ; Ethylene, chlorotris(p-methoxyphenyl)- ; HSDB 3302 ; Hormonisene ; Khlortrianizen ; Merbentul ; Metace ; NSC-10108 ; Restrol ; Rianil ; TACE ; Tace (pharmaceutical) ; Tace-Fn ; Tri-p-anisylchloroethylene ; Triagen ; Tris(p-methoxyphenyl)chloroethylene ; UNII-6V5034L121 .