Cas no 1766-76-3 (Decafluorobenzhydrol)
Decafluorobenzhydrol Chemical and Physical Properties
Names and Identifiers
-
- Bis(perfluorophenyl)methanol
- Bis(pentafluorophenyl) carbinol~Bis(pentafluorophenyl)methanol
- Decafluorobenzhydrol
- Decafluorodiphenylmethanol
- Bis(pentafluorophenyl)methanol
- bis(pentafluorophenyl) carbinol
- Bis(2,3,4,5,6-pentafluorophenyl)methanol
- 2,3,4,5,6,2',3',4',5',6'-Decafluorobenzhydrol
- C13H2F10O
- NSC97029
- Benzhydrol, 2,2',3,3',4,4',5,5',6,6'-decafluoro-
- WRLLBTKDSCJOBL-UHFFFAOYSA-N
- HMS1607B17
- PC2120
- Benzenemethanol, 2,3,4,5,6-pentafluoro-.alpha.-(pentafluorophe
- D1641
- Benzhydrol,2',3,3',4,4',5,5',6,6'-decafluoro-
- BENZENEMETHANOL,2,3,4,5,6-PENTAFLUORO-A-(2,3,4,5,6-PENTAFLUOROPHENYL)-
- J-011216
- DTXSID70938821
- Benzenemethanol, 2,3,4,5,6-pentafluoro-.alpha.-(pentafluorophenyl)-
- NSC 97029
- 1766-76-3
- SCHEMBL407601
- NS00045645
- Bis(2,3,4,5,6-pentafluorophenyl)methanol #
- T70437
- Benzenemethanol, 2,3,4,5,6-pentafluoro-alpha-(2,3,4,5,6-pentafluorophenyl)-
- EINECS 217-185-0
- NSC-97029
- MFCD00000297
- FT-0624474
- FS-5019
- AKOS001482456
- 2,3,4,5,6,2',3',4',5',6'-Decafluorobenzhydrol, >=97%
- 2,3,4,5,6,2',3',4',5',6'-Decafluorobenzylhydrol
- CS-0312785
- Benzenemethanol,3,4,5,6-pentafluoro-.alpha.-(pentafluorophenyl)-
- STL194025
- DB-351138
-
- MDL: MFCD00000297
- Inchi: 1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H
- InChI Key: WRLLBTKDSCJOBL-UHFFFAOYSA-N
- SMILES: FC1C(=C(C(=C(C=1C(C1C(=C(C(=C(C=1F)F)F)F)F)O)F)F)F)F
- BRN: 2067248
Computed Properties
- Exact Mass: 363.99500
- Monoisotopic Mass: 363.995
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 371
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.7
- Topological Polar Surface Area: 20.2
Experimental Properties
- Color/Form: White solid
- Density: 1.6108 (estimate)
- Melting Point: 78.0 to 81.0 deg-C
- Boiling Point: 110°C/1.5mmHg(lit.)
- Flash Point: 114.2°C
- Refractive Index: 1.457
- Water Partition Coefficient: Insoluble in water.
- PSA: 20.23000
- LogP: 4.15930
- Solubility: Insoluble in water
Decafluorobenzhydrol Security Information
- Hazard Statement: Irritant
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S22-S24/25
-
Hazardous Material Identification:
- Safety Term:S24/25
- Risk Phrases:R36/37/38
- HazardClass:IRRITANT
Decafluorobenzhydrol Customs Data
- HS CODE:2906299090
- Customs Data:
China Customs Code:
2906299090Overview:
2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
Decafluorobenzhydrol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 004610-250mg |
Decafluorobenzhydrol |
1766-76-3 | 97% | 250mg |
£24.00 | 2022-03-01 | |
| Fluorochem | 004610-1g |
Decafluorobenzhydrol |
1766-76-3 | 97% | 1g |
£47.00 | 2022-03-01 | |
| Fluorochem | 004610-5g |
Decafluorobenzhydrol |
1766-76-3 | 97% | 5g |
£233.00 | 2022-03-01 | |
| Alichem | A019119480-500g |
Bis(perfluorophenyl)methanol |
1766-76-3 | 97% | 500g |
1,019.71 USD | 2021-06-16 | |
| TRC | D210633-250mg |
Decafluorobenzhydrol |
1766-76-3 | 250mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D210633-500mg |
Decafluorobenzhydrol |
1766-76-3 | 500mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D210633-2.5g |
Decafluorobenzhydrol |
1766-76-3 | 2.5g |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D871384-1g |
Decafluorobenzhydrol |
1766-76-3 | 99% | 1g |
¥498.00 | 2022-01-11 | |
| Apollo Scientific | PC2120-1g |
Decafluorobenzhydrol |
1766-76-3 | 97% | 1g |
£64.00 | 2025-02-21 | |
| Apollo Scientific | PC2120-5g |
Decafluorobenzhydrol |
1766-76-3 | 97% | 5g |
£278.00 | 2025-02-21 |
Decafluorobenzhydrol Production Method
Production Method 1
2.1 -
Production Method 2
Decafluorobenzhydrol Raw materials
Decafluorobenzhydrol Preparation Products
Decafluorobenzhydrol Suppliers
Decafluorobenzhydrol Related Literature
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1. X-Ray crystallographic analysis of D,L-[Fe2{SCH2CH(CH2OH)S}(CO)6] reveals a hydrogen-bonded cyclic hexamer with ordered optical centresMathieu Razavet,Alban Le Cloirec,Sian C. Davies,David L. Hughes,Christopher J. Pickett J. Chem. Soc. Dalton Trans. 2001 3551
Additional information on Decafluorobenzhydrol
Recent Advances in the Application of Decafluorobenzhydrol (CAS: 1766-76-3) in Chemical Biology and Pharmaceutical Research
Decafluorobenzhydrol (CAS: 1766-76-3), a highly fluorinated aromatic alcohol, has recently gained significant attention in chemical biology and pharmaceutical research due to its unique physicochemical properties and versatile applications. This compound, characterized by its ten fluorine atoms attached to a benzhydrol scaffold, exhibits remarkable stability, lipophilicity, and electron-withdrawing capabilities, making it an attractive building block for drug discovery and material science. Recent studies have explored its potential as a key intermediate in the synthesis of bioactive molecules, particularly in the development of fluorinated pharmaceuticals and agrochemicals.
A 2023 study published in the Journal of Fluorine Chemistry demonstrated the utility of Decafluorobenzhydrol in the synthesis of novel fluorinated kinase inhibitors. The researchers utilized its electron-deficient aromatic rings to enhance binding affinity to ATP pockets of various kinases, resulting in compounds with improved selectivity and metabolic stability. The study reported a 40% increase in target engagement compared to non-fluorinated analogs, highlighting the strategic importance of this fluorinated building block in medicinal chemistry.
In the field of materials science, Decafluorobenzhydrol has shown promise in the development of advanced polymeric materials. A recent breakthrough published in ACS Applied Materials & Interfaces (2024) described its incorporation into fluorinated epoxy resins, yielding materials with exceptional chemical resistance and thermal stability. The resulting polymers demonstrated a glass transition temperature increase of approximately 30°C compared to conventional analogs, making them suitable for harsh environment applications in the pharmaceutical manufacturing industry.
From a mechanistic perspective, the unique properties of Decafluorobenzhydrol (1766-76-3) have been attributed to the strong electron-withdrawing effect of the perfluorinated aromatic rings, which significantly influences both its reactivity and the physicochemical properties of derived compounds. Recent computational studies have provided deeper insights into its molecular interactions, particularly in protein-ligand binding scenarios where the fluorinated moieties participate in unique orthogonal dipolar interactions with protein backbones.
The pharmaceutical industry has shown growing interest in Decafluorobenzhydrol as a precursor for PET (positron emission tomography) tracer development. A 2024 Nature Communications paper detailed its use in the synthesis of 18F-labeled radiopharmaceuticals, where its chemical structure facilitated efficient fluorine-18 incorporation while maintaining excellent in vivo stability. This application represents a significant advancement in molecular imaging techniques for drug development and disease diagnosis.
Despite these promising developments, challenges remain in the large-scale production and purification of Decafluorobenzhydrol. Recent process chemistry studies have focused on optimizing its synthesis routes to improve yield and reduce environmental impact. A green chemistry approach published in Organic Process Research & Development (2023) reported a 60% reduction in organic solvent usage through innovative catalytic systems, addressing some of the sustainability concerns associated with fluorinated compound production.
Looking forward, the unique properties of Decafluorobenzhydrol (1766-76-3) position it as a valuable tool in the continued exploration of fluorinated compounds for pharmaceutical applications. Its versatility in medicinal chemistry, combined with emerging applications in materials science and diagnostic imaging, suggests that this compound will remain an important focus of research in the coming years. Future directions likely include further exploration of its structure-activity relationships and the development of novel synthetic methodologies to expand its utility in drug discovery programs.
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