3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
![3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol Structure](https://image.chemsrc.com/caspic/315/96826-17-4.png)
3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol structure
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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 | |
Summary: 3-Fluoro-4-(3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl)phenol (CAS number: 96826-17-4), molecular formula: C18H20F2O2, molecular weight: 306.34700. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2908199090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
3-fluoro-4-[3-(... CAS#:96826-17-4 |
| Literature: Hartmann; Schwarz; Heindl; Schonenberger Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1295 - 1301 |
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~85%
3-fluoro-4-[3-(... CAS#:96826-17-4 |
| Literature: Asta-Werke Aktiengesellschaft Patent: US4745233 A1, 1988 ; |
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~%
3-fluoro-4-[3-(... CAS#:96826-17-4 |
| Literature: Hartmann; Schwarz; Heindl; Schonenberger Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1295 - 1301 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Relative binding affinity for calf uterine estrogen receptor compared to [3H]estradio...
Source: ChEMBL
Target: Estrogen receptor
External Id: CHEMBL682069
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Name: Anti-uterotrophic effect in mice at 0.1 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721551
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Name: Anti-uterotrophic effect in mice at 0 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721550
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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
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Name: Anti-uterotrophic effect in mice at 1 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721553
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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
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Name: ercent reduction in tumor size (<50%) in DMBA-induced mammary carcinoma in rats at 5 ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731222
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Name: Anti-uterotrophic effect in mice at 100 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721555
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Name: Percent reduction in tumor size (<50%) in DMBA-induced mammary carcinoma in rats at 2...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL731221
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Name: Anti-uterotrophic effect in mice at 10 ug
Source: ChEMBL
Target: Estrogen receptor beta
External Id: CHEMBL721554
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| bfhdb |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 96826-17-4? |
| A: Chinese name of 96826-17-4 is 96826-17-4. |
| Q: What is the molecular formula of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: Molecular formula of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is C18H20F2O2. |
| Q: What English synonyms does 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol have? |
| A: English synonyms of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol: bfhdb. |
| Q: What is the CAS number of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: CAS number of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 96826-17-4. |
| Q: What is the boiling point of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: Boiling point of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 428.8ºC at 760mmHg. |
| Q: What is the English name of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: The English name of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol. |
| Q: What is the InChIKey of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: InChIKey of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is IUTGISNYEDWTCS-UHFFFAOYSA-N. |
| Q: What is the LogP of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: LogP of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 4.63140. |
| Q: What is the molecular weight of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: Molecular weight of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 306.34700. |
| Q: What is the polar surface area (PSA) of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol? |
| A: Polar surface area (PSA) of 3-fluoro-4-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol is 40.46000. |