Cas no 177551-64-3 (1,3-Benzodioxole,2,2-difluoro-5-phenyl-)
1,3-Benzodioxole,2,2-difluoro-5-phenyl- is a fluorinated benzodioxole derivative characterized by its unique structural features, including a difluoromethylene bridge and a phenyl substituent. This compound is of interest in synthetic and medicinal chemistry due to its potential as a building block for pharmaceuticals and agrochemicals. The presence of fluorine atoms enhances its metabolic stability and lipophilicity, making it valuable for designing bioactive molecules. Its rigid benzodioxole core contributes to improved binding affinity in target interactions. The compound is typically utilized in research settings for exploring structure-activity relationships and developing novel fluorinated analogs. Proper handling under controlled conditions is recommended due to its reactive functional groups.
177551-64-3 structure
Product Name:1,3-Benzodioxole,2,2-difluoro-5-phenyl-
CAS No:177551-64-3
MF:C13H8F2O2
MW:234.198230743408
MDL:MFCD04972825
CID:112659
PubChem ID:40427119
Update Time:2025-05-19
1,3-Benzodioxole,2,2-difluoro-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole,2,2-difluoro-5-phenyl-
- 2,2-difluoro-5-phenyl-1,3-benzodioxole
- 2,2-DIFLUORO-5-PHENYL-BENZO[1,3]DIOXOLE
- 1,3-Benzodioxole,2,2-difluoro-5-phenyl
- 2,2-Difluoro-5-phenylbenzo[d][1,3]dioxole
- 177551-64-3
- 2,2-difluoro-5-phenyl-2H-1,3-benzodioxole
- MFCD04972825
- SCHEMBL7489327
- 1,3-Benzodioxole, 2,2-difluoro-5-phenyl-
- 2,2-difluoro-5-phenylbenzo[1,3]dioxole
- 2,2-difluoro-5-phenyl-benzo-(1,3)-dioxole
- ZNEFBGJJNFZLIY-UHFFFAOYSA-N
- DTXSID00654249
-
- MDL： MFCD04972825
- Inchi： 1S/C13H8F2O2/c14-13(15)16-11-7-6-10(8-12(11)17-13)9-4-2-1-3-5-9/h1-8H
- InChI Key： ZNEFBGJJNFZLIY-UHFFFAOYSA-N
- SMILES： FC1(OC2C=CC(C3C=CC=CC=3)=CC=2O1)F
Computed Properties
- Exact Mass: 234.04900
- Monoisotopic Mass: 234.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 277
- 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
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 4.1
Experimental Properties
- PSA: 18.46000
- LogP: 3.67510
1,3-Benzodioxole,2,2-difluoro-5-phenyl- Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Risk Phrases：R36/37/38
1,3-Benzodioxole,2,2-difluoro-5-phenyl- Customs Data
- HS CODE：2932999099
- Customs Data：
China Customs Code:
2932999099Overview:
2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,3-Benzodioxole,2,2-difluoro-5-phenyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 032782-250mg |
2,2-Difluoro-5-phenyl-benzo[1,3]dioxole |
177551-64-3 | 250mg |
￡160.00 | 2022-03-01 | ||
| Fluorochem | 032782-1g |
2,2-Difluoro-5-phenyl-benzo[1,3]dioxole |
177551-64-3 | 1g |
￡465.00 | 2022-03-01 | ||
| Fluorochem | 032782-2g |
2,2-Difluoro-5-phenyl-benzo[1,3]dioxole |
177551-64-3 | 2g |
￡731.00 | 2022-03-01 | ||
| abcr | AB148508-1 g |
2,2-Difluoro-5-phenylbenzo[1,3]dioxole, 98%; . |
177551-64-3 | 98% | 1g |
€280.00 | 2023-05-20 | |
| abcr | AB148508-5 g |
2,2-Difluoro-5-phenylbenzo[1,3]dioxole, 98%; . |
177551-64-3 | 98% | 5g |
€760.00 | 2023-05-20 | |
| abcr | AB148508-1g |
2,2-Difluoro-5-phenylbenzo[1,3]dioxole, 98%; . |
177551-64-3 | 98% | 1g |
€265.00 | 2025-02-16 | |
| abcr | AB148508-5g |
2,2-Difluoro-5-phenylbenzo[1,3]dioxole, 98%; . |
177551-64-3 | 98% | 5g |
€650.00 | 2025-02-16 | |
| abcr | AB148508-10g |
2,2-Difluoro-5-phenylbenzo[1,3]dioxole, 98%; . |
177551-64-3 | 98% | 10g |
€1095.00 | 2025-02-16 | |
| Ambeed | A294199-1g |
2,2-Difluoro-5-phenylbenzo[d][1,3]dioxole |
177551-64-3 | 97% | 1g |
$748.0 | 2024-04-22 |
1,3-Benzodioxole,2,2-difluoro-5-phenyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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