Chlorotrianisene
Also known as Chlortrianizen, Chlortrianisestrol, Chlortrianisen
Key facts
What buyers check first
- Appearance
- Crystals from methanol
- Melting point
- 114 to 116 °C
- Solubility
- PRACTICALLY INSOL IN WATER, SOL IN ALCOHOL 0.28 G/100 ML, IN ETHER 3.6 G/100 ML, SOL IN…
- HS code
- 290930
- Category
- Screening compounds
What is Chlorotrianisene?
Plain description, key identifiers and synonyms
Chlorotrianisene is a chloroalkene. It has a role as an antineoplastic agent, an estrogen receptor modulator and a xenoestrogen. It derives from a hydride of a stilbene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
- CAS number
- 569-57-3 CAS number cross-checked
- EC number
- 209-318-6
- Molecular formula
- C23H21ClO3
- UNII
- 6V5034L121
- MDL number
- MFCD00048044
- InChIKey
- BFPSDSIWYFKGBC-UHFFFAOYSA-N
- 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
- SMILES (canonical and isomeric)
- COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC
Synonyms
- Chlortrianizen
- Chlortrianisestrol
- Chlortrianisen
- TACE
- Chlorotrianisine
- Chlorestrolo
- Chlorotrianizen
- Chloortrianisestrol
- Khlortrianizen
- Clorotrisin
- Hormonisene
- Clorestrolo
- Merbentul
- Anisene
- Metace
- Rianil
- Chlortrianisoestrolum
- Chlorotrisin
- Chlortrianisenum
- Tace-fn
- Clorotrianisene
- Clorotrianiseno
- Tri-p-anisylchloroethylene
- Chlorotrianisenum
- Tace (pharmaceutical)
Show all 36 synonymsShow fewer synonyms
- Chlorotris(p-methoxyphenyl)ethylene
- Tris(p-methoxyphenyl)chloroethylene
- Ethylene, chlorotris(p-methoxyphenyl)-
- Benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)-
- 1-[2-chloro-1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
- 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-
- 1-(2-chloro-1,2-bis(4-methoxyphenyl)ethenyl)-4-methoxybenzene
- Chlortrianisene
- 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
- 4,4',4''-(2-chloroethene-1,1,2-triyl)tris(methoxybenzene)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Crystals from methanolexp.Measured value |
|---|---|
| Odour | ODORLESSexp.Measured value |
| Melting point | 114 to 116 °Cexp.Measured value |
| Solubility | PRACTICALLY INSOL IN WATER, SOL IN ALCOHOL 0.28 G/100 ML, IN ETHER 3.6 G/100 ML, SOL IN GLACIAL ACETIC ACID, CARBON TETRACHLORIDE, VEGETABLE OILSexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 380.87 g/molcalc.Computed value |
|---|---|
| Exact mass | 380.1179 Dacalc.Computed value |
| LogP (octanol/water) | 5.87calc.Computed value |
| Topological polar surface area | 27.69 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.13calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C(=C(c1ccccc1)c1ccccc1)c1ccccc1
3 rings, 20 atoms, the Triphenylethylene ring system.
482 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Chlorotrianisene suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileChlorotrianiseneGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profileChlorotrianiseneGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
2 suppliers in 1 country
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Chlorotrianisene price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents, Hormonal
- Estrogens, Non-Steroidal
Roles
- agonist
- antineoplastic agent
- endocrine disruptor
- estrogen
- estrogen receptor modulator
- hormone
- hormone receptor modulator
- molecular messenger
- pharmaceutical
- receptor modulator
- sex hormone
- xenoestrogen
Pharmacology
Chlorotrianisene is an orally bioavailable, highly lipophilic, synthetic triphenylethylene (TPE) derivative and selective estrogen receptor modulator (SERM), with predominantly estrogenic but also antiestrogenic activities. Upon administration, chlorotrianisene binds to estrogen receptors (ER) and, depending on the responsive target cells, either activates or blocks ER activity. This modulates the expression of ER-responsive genes in a tissue-specific manner. This agent may increase bone mineral density, modify the lipid profile and ameliorate vasomotor symptoms. Chlorotrianisene inhibits the pituitary secretion of the gonadotropins luteinizing hormone (LH) and follicle-stimulating hormone (FSH) through a negative feedback mechanism.
How it is made
Prepd by reacting tri-p-anisylethylene or tri-p-anisylethanol with cl in inert solvent: basford & ici british patent 561,508 (1944).
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Chlorotrianisene is traded under.
Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives
- United States14.3%
- China11.8%
- India * partner reported8.3%
* Partner reported figures, a lower bound.
The HS code shown for Chlorotrianisene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![1,1'-[2-Chloro-2-(4-methoxyphenyl)ethene-1,1-diyl]dibenzene chemical structure, C21H17ClO, CAS 33686-66-7](/s/PJYHMAQZCCPRQY-UHFFFAOYSA-N.svg)
![4,4'-[Chloro(4-methoxyphenyl)ethenylidene]bis-phenol chemical structure, C21H17ClO3, CAS 204123-86-4](/s/KUIIVJFWKJNNGP-UHFFFAOYSA-N.svg)
![1,1'-[Chloro(4-methoxyphenyl)ethenylidene]bis[4-(phenylmethoxy)benzene chemical structure, C35H29ClO3, CAS 151806-60-9](/s/AJHNFMVUTKTQPL-UHFFFAOYSA-N.svg)
![1,1'-[2-Chloro-2-(4-methoxyphenyl)ethene-1,1-diyl]bis(2-methoxybenzene) chemical structure, C23H21ClO3, CAS 62378-30-7](/s/PYVKYTWZYSYNMM-UHFFFAOYSA-N.svg)
![4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol chemical structure, C15H12Cl2O2, CAS 75938-34-0](/s/GZADQGXCIZUJOR-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![Ethyl 6-(4-chlorophenyl)-2-oxo-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate chemical structure, C23H21ClO3, CAS 5977-83-3](/s/YXFSTVHDFBILBL-CMDGGOBGSA-N.svg)
![2-Chlorophenyl 3-[(4-isopropylphenoxy)methyl]benzoate chemical structure, C23H21ClO3, CAS 438465-31-7](/s/AJDYTKLEZNEIJP-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Chlorotrianisene, based on the data on this page
What is Chlorotrianisene?
Guides for buyers
Practical guides that help when you source, ship or handle Chlorotrianisene
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Chlorotrianisene
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Chlorotrianisene with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/chlorotrianisene-569-57-3" title="Chlorotrianisene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 290930