2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Basic Information

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CAS Number

50-41-9

Molecular Formula

C32H36ClNO8

Molecular Weight

598.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

116.5-118°C

Boiling Point

509°C at 760 mmHg

Water Solubility

Slightly soluble in water, methanol, chloroform (slightly), and DMSO (10 mM). Insoluble in ether.

Flash Point

261.6°C

Vapor Pressure

No data available

SMILES

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CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c2ccccc2)c3ccccc3.OC(=O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PYTMYKVIJXPNBD-UHFFFAOYSA-N

LogP

5.314100000000006

Topological Polar Surface Area

144.6 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

708

Safety Information

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GHS Hazard Pictograms

H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Clomiphene Citrate
2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanaMine 2-hydroxypropane-1,2,3-tricarboxylate
CloMiphene Cit
Clometeu Citrate
Clomiphene,ClomifeneCltrate
{2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]ethyl}diethylamine(2-Hydroxypropane-1,2,3- tricarbox
SEROPHENE
PERGOTIME
Clomiphene citrate salt
{2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]ethyl}diethylamine(2-Hydroxypropane-1,2,3- tricarboxylic acid salt)
Clomifene citrate
Clomiphene (citrate)
Clomiphene Citrate (cis-trans mixture)
Rappaport Vassiliadis Salmonella Enrichment Broth Medium
2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine citrate
2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine,Clomiphene citrate salt
CLOMID
clomiphen citrate
clomivid
CLOMPHID
dyneric
fertivet
fertyl
genozym
mer41
mrl41
omifin
2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine citrate
Clomiphene citrate
2-(4-(2-chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethan-1-amine
citrate (1:1)

MDL Number

MFCD00058322

FAQ

What is 2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 50-41-9)?

2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is a complex organic chemical compound with CAS number 50-41-9. It features a diethyl ester group linked to an ethanamine core, incorporating chloro and diphenylvinyl functionalities. This compound is known for its structural complexity and potential applications in specialized chemical processes.

What are the main uses of 2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 50-41-9)?

This compound is primarily used in pharmaceutical research as a potential drug candidate, in industrial chemical synthesis as an intermediate, and in agrochemical formulations. Its unique structure makes it valuable for developing new products, though specific applications may vary. The (1:1) ratio suggests it is used in formulations requiring precise chemical balance.

Is 2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 50-41-9) safe?

Safety precautions for this compound (CAS: 50-41-9) include handling with gloves and ventilation to avoid skin or respiratory exposure. While it is not classified as highly toxic, it should be stored securely and used in accordance with safety standards. Always consult safety data sheets (SDS) for detailed guidelines on its safe use and disposal.

How should 2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 50-41-9) be stored?

This compound (CAS: 50-41-9) should be stored in a cool, dry, and dark environment, preferably at 2-8°C, in sealed, airtight containers to prevent moisture exposure. Avoid direct light and ensure storage in a well-ventilated area. Keep it away from incompatible substances to maintain stability and safety.