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Cas Database |
| Name |
Chlorotrianisene |
EINECS | N/A |
| CAS No. | 569-57-3 | Density | 1.168g/cm3 |
| PSA | 27.69000 | LogP | 5.86780 |
| Solubility | N/A | Melting Point |
114-116oC |
| Formula | C23H21 Cl O3 | Boiling Point | 514.2°Cat760mmHg |
| Molecular Weight | 380.871 | Flash Point | 164.1°C |
| Transport Information | N/A | Appearance | N/A |
| 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−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
Article Data | 6 |
Chlorotrianisene Synthetic route
| Conditions | Yield |
|---|---|
| With tetrachloromethane; chlorine |
- 61161-13-5
4'-methoxy-2,2-bis(p-methoxyphenyl)acetophenone
- 569-57-3
chlorotrianisene
| 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 | Yield |
|---|---|
| With tert.-butyl lithium 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux; Yield given. Multistep reaction; |
| 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 | 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 |
- 17105-65-6
dimethyl 4-methoxybenzylphosphonate
- 569-57-3
chlorotrianisene
| 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 |
| 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 |
| 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 | 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 |
Chlorotrianisene Chemical Properties
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
Chlorotrianisene Toxicity Data With Reference
| 1. | orl-rat TDLo:37 mg/kg/2Y-C:ETA | TXAPA9 Toxicology and Applied Pharmacology. 11 (1967),489. |
Chlorotrianisene 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) .
Chlorotrianisene 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−.
Chlorotrianisene 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 .
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