3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol

Modify Date: 2025-08-25 08:43:34

3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol Structure
3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol structure
Common Name 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
CAS Number 96826-17-4 Molecular Weight 306.34700
Density 1.196g/cm3 Boiling Point 428.8ºC at 760mmHg
Molecular Formula C18H20F2O2 Melting Point N/A
MSDS N/A Flash Point 213.2ºC

 Names

Name 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.196g/cm3
Boiling Point 428.8ºC at 760mmHg
Molecular Formula C18H20F2O2
Molecular Weight 306.34700
Flash Point 213.2ºC
Exact Mass 306.14300
PSA 40.46000
LogP 4.63140
Index of Refraction 1.551
InChIKey IUTGISNYEDWTCS-UHFFFAOYSA-N
SMILES CC(C)(c1ccc(O)cc1F)C(C)(C)c1ccc(O)cc1F

 Safety Information

HS Code 2908199090

 Synthetic Route

~%

3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol Structure

3-fluoro-4-[3-(...

CAS#:96826-17-4

Literature: Hartmann; Schwarz; Heindl; Schonenberger Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1295 - 1301

~85%

3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol Structure

3-fluoro-4-[3-(...

CAS#:96826-17-4

Literature: Asta-Werke Aktiengesellschaft Patent: US4745233 A1, 1988 ;

~%

3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol Structure

3-fluoro-4-[3-(...

CAS#:96826-17-4

Literature: Hartmann; Schwarz; Heindl; Schonenberger Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1295 - 1301

 Customs

HS Code 2908199090
Summary HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

 Bioassay

View more

Name: Relative binding affinity for calf uterine estrogen receptor compared to [3H]estradio...
Source: ChEMBL
Target: Estrogen receptor
External Id: CHEMBL682069
Name: Anti-uterotrophic effect in mice at 0.1 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721551
Name: Anti-uterotrophic effect in mice at 0 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721550
Name: Percent change in tumor area in DMBA-induced carcinoma in rats after 28 day therapy a...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731220
Name: Anti-uterotrophic effect in mice at 1 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721553
Name: Percent change in tumor area in DMBA-induced carcinoma in rats after 28 day therapy a...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731219
Name: ercent reduction in tumor size (<50%) in DMBA-induced mammary carcinoma in rats at 5 ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731222
Name: Anti-uterotrophic effect in mice at 100 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721555
Name: Percent reduction in tumor size (<50%) in DMBA-induced mammary carcinoma in rats at 2...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731221
Name: Anti-uterotrophic effect in mice at 10 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721554
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 Synonyms

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