clomifene

Description

clomifene · CAS 911-45-5 · C26H28ClNO. UNII 1HRS458QU2. Melting Point: 116.5-118; Melting Point: MP: 116.5-118 °C /CITRATE/; Solubility: 4.14e-04 g/L.

Identification

CAS Registry Number	911-45-5
PubChem CID	2800
Molecular formula	C26H28ClNO
IUPAC name	2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine
UNII (FDA)	1HRS458QU2

Computed Descriptors

Molecular Weight	406.0
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	405.1859422
Monoisotopic Mass	405.1859422
Topological Polar Surface Area	12.5
Heavy Atom Count	29
Formal Charge	0

Physical & Chemical Properties

Melting Point	116.5-118
Melting Point	MP: 116.5-118 °C /CITRATE/
Solubility	4.14e-04 g/L
LogP	7.2

Physical description & handling notes

• Solid
• Slightly soluble
• SLIGHTLY SOL IN WATER (1 IN 900), ETHANOL (1 IN 40) AND CHLOROFORM (1 IN 800); FREELY SOL IN METHANOL; PRACTICALLY INSOL IN DIETHYL ETHER /CITRATE/
• UNSTABLE TO AIR AND LIGHT
• 206.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8020337]
• 207.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8020337]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H351 (100%), H373 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >50
• Consumption (g per capita; approx.) in Germany (2009): 0.000611
• Consumption (g per capita) in the USA (2002): 0.00129
• Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation.
• CONDENSATION OF 4-HYDROXYBENZOPHENONE WITH 2-(DIETHYLAMINO)ETHYL CHLORIDE FOLLOWED BY TREATMENT WITH BENZYL MAGNESIUM CHLORIDE AND DEHYDRATION TO GIVE 2-(P-(1,2-DIPHENYLVINYL)PHENOXY)TRIETHYLAMINE WHICH IS CHLORINATED AND TREATED WITH CITRIC ACID /CITRATE/
• ESSENTIALLY 100% AS A MEDICINAL (1976) /CITRATE/

Synonyms

clomiphene; 911-45-5; Clomiphene B; DTXSID1022843; Chlomaphene; Chloramifene; Clomifen; 2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine; 1HRS458QU2; 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine; 2-(p-(beta-Chloro-alpha-phenylstyryl)phenoxy)-triethylamine; Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-; Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-; CHEBI:3752; DTXCID202843; Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-

Frequently Asked Questions

What are the CAS number and molecular formula of clomifene?

CAS 911-45-5; molecular formula C26H28ClNO; molecular weight — g/mol.

What other names is clomifene known by?

clomiphene, 911-45-5, Clomiphene B, DTXSID1022843, Chlomaphene, Chloramifene.

Is clomifene classified as hazardous?

Hazard statements reported: H302, H351, H373.

What are the key physical properties of clomifene?

Melting Point: 116.5-118; Melting Point: MP: 116.5-118 °C /CITRATE/; Solubility: 4.14e-04 g/L; LogP: 7.2.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.