Product Name

  • Name

    CHLOROTRIANISENE

  • EINECS
  • CAS No. 569-57-3
  • Article Data6
  • CAS DataBase
  • Density 1.168g/cm3
  • Solubility
  • Melting Point 114-116oC
  • Formula C23H21 Cl O3
  • Boiling Point 514.2°Cat760mmHg
  • Molecular Weight 380.871
  • Flash Point 164.1°C
  • Transport Information
  • Appearance
  • 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
  • Molecular Structure Molecular Structure of 569-57-3 (CHLOROTRIANISENE)
  • Hazard Symbols
  • 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
  • PSA 27.69000
  • LogP 5.86780

Synthetic route

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

1,1,2-tris(4-methoxyphenyl)ethene

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
With tetrachloromethane; chlorine
4'-methoxy-2,2-bis(p-methoxyphenyl)acetophenone
61161-13-5

4'-methoxy-2,2-bis(p-methoxyphenyl)acetophenone

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
With phosphorus pentachloride; toluene
bis(p-methoxyphenyl)methanone
90-96-0

bis(p-methoxyphenyl)methanone

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

Dimethyl 1-chloro-1-(4-methoxyphenyl)methanephosphonate

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
With tert.-butyl lithium 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux; Yield given. Multistep reaction;
Methoxychlor
72-43-5

Methoxychlor

methoxybenzene
100-66-3

methoxybenzene

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
With aluminium trichloride In carbon disulfide
1-bromo-1,2,2-tris(p-methoxyphenyl)ethene
25354-46-5

1-bromo-1,2,2-tris(p-methoxyphenyl)ethene

A

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

bis(p-methoxyphenyl)methanone

B

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
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
tetrachloromethane
56-23-5

tetrachloromethane

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

1,1,2-tris(4-methoxyphenyl)ethene

chlorine
7782-50-5

chlorine

chlorotrianisene
569-57-3

chlorotrianisene

...Expand
dimethyl 4-methoxybenzylphosphonate
17105-65-6

dimethyl 4-methoxybenzylphosphonate

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: 1.) tert-butyllithium / 1.) THF/pentane, -78 deg C, 30 min; 2.) THF, reflux
View Scheme
p-methoxybenzyl chloride
824-94-2

p-methoxybenzyl chloride

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
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
bis(p-methoxyphenyl)methanone
90-96-0

bis(p-methoxyphenyl)methanone

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
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
ethyl p-methoxyphenylacetate
14062-18-1

ethyl p-methoxyphenylacetate

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
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
1,1,2-tris-(4-methoxy-phenyl)-ethanol
1817-87-4

1,1,2-tris-(4-methoxy-phenyl)-ethanol

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aminosulfonic acid / 10 - 20 Torr
View Scheme
Multi-step reaction with 2 steps
1: aminosulfonic acid / 10 - 20 Torr
2: tetrachloromethane; chlorine
View Scheme
Multi-step reaction with 2 steps
1: 10 - 20 Torr
View Scheme
Multi-step reaction with 2 steps
1: 10 - 20 Torr
2: tetrachloromethane; chlorine
View Scheme
methoxybenzene
100-66-3

methoxybenzene

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid; concentrated sulfuric acid
2: toluene; PCl5
View Scheme
Multi-step reaction with 2 steps
1: aqueous sulfuric acid / anschliessendes Behandeln mit konz.Schwefelsaeure
2: toluene; PCl5
View Scheme
p-methoxyphenylglyoxal
1076-95-5

p-methoxyphenylglyoxal

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid; concentrated sulfuric acid
2: toluene; PCl5
View Scheme
4-methoxyphenyl magnesium bromide
13139-86-1

4-methoxyphenyl magnesium bromide

chlorotrianisene
569-57-3

chlorotrianisene

Conditions
ConditionsYield
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
569-57-3

chlorotrianisene

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

1,1,2-tris(4-methoxyphenyl)ethene

Conditions
ConditionsYield
With lithium aluminium tetrahydride; nickel dichloride In tetrahydrofuran < 0 deg C;95%
chlorotrianisene
569-57-3

chlorotrianisene

acetic acid
64-19-7

acetic acid

A

9-chloro-3,6-dimethoxy-10-(p-methoxyphenyl)phenanthrene
1040086-21-2

9-chloro-3,6-dimethoxy-10-(p-methoxyphenyl)phenanthrene

B

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

bis(p-methoxyphenyl)methanone

C

1-Acetoxy-1,2,2-tris(4-methoxyphenyl)ethene
96784-47-3

1-Acetoxy-1,2,2-tris(4-methoxyphenyl)ethene

D

9-acetoxy-3,6-dimethoxy-10-(p-methoxyphenyl)phenanthrene
133627-95-9

9-acetoxy-3,6-dimethoxy-10-(p-methoxyphenyl)phenanthrene

Conditions
ConditionsYield
With air In acetonitrile at 23℃; Quantum yield; Further Variations:; Reagents; Irradiation;
...Expand

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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