Cas no 71653-64-0 (2-(Difluoromethoxy)benzaldehyde)
2-(Difluoromethoxy)benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2-(Difluoromethoxy)benzaldehyde
- 2-Difluoromethoxybenzaldehyde
- 2-Difluoromethoxy-benzaldehyde
- o-difluoromethoxybenzaldehyde
- 2-DIFLOROMETHOXYBENZALDEHYDE
- PubChem2906
- difluoromethoxybenzaldehyde
- KSC356M9L
- ZERENEX ZX009675
- Benzaldehyde, (difluoromethoxy)-
- QPBNHDFPMRENBC-UHFFFAOYSA-N
- 2 - Difluorome
- Z55671896
- AM84039
- 2-(Difluoromethoxy)benzaldehyde, 96%
- FT-0656781
- (Difluoromethoxy)benzaldehyde
- FT-0608777
- 71653-64-0
- AKOS000296878
- SY035506
- MFCD00042251
- SCHEMBL908602
- CL8276
- 66988-93-0
- CS-W005133
- AS-11101
- EN300-01067
- DTXSID10985793
- NS00054537
- D4837
- SB73974
- A9371
- DB-019501
- DTXCID101412984
- STK347824
-
- MDL: MFCD00042251
- Inchi: 1S/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H
- InChI Key: QPBNHDFPMRENBC-UHFFFAOYSA-N
- SMILES: FC(OC1C=CC=CC=1C=O)F
- BRN: 389068
Computed Properties
- Exact Mass: 172.03400
- Monoisotopic Mass: 172.034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 150
- 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: 2.6
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Liquid
- Density: 1.3?g/mL?at 25?°C(lit.)
- Melting Point: No data available
- Boiling Point: 83°C/3mmHg(lit.)
- Flash Point: Fahrenheit: 224.6 ° f
Celsius: 107 ° c - Refractive Index: n20/D 1.497(lit.)
- Solubility: Miscible with 2-propanol and acetic acid.
- PSA: 26.30000
- LogP: 2.10050
- Sensitiveness: Air Sensitive
- Solubility: Not determined
2-(Difluoromethoxy)benzaldehyde Security Information
-
Symbol:
- Prompt:warning
- Signal Word:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/38-36/37/38
- Safety Instruction: S26-S36-S37/39
- RTECS:CU5615600
-
Hazardous Material Identification:
- Safety Term:S26;S36
- Risk Phrases:R36/38
- HazardClass:IRRITANT
- Storage Condition:Store at 4°C,-4At ℃Store…Better
2-(Difluoromethoxy)benzaldehyde Customs Data
- HS CODE:2913000090
- Customs Data:
China Customs Code:
2913000090Overview:
2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. 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:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%
2-(Difluoromethoxy)benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 004829-1g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 96% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 004829-10g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 96% | 10g |
£36.00 | 2022-03-01 | |
| Fluorochem | 004829-25g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 96% | 25g |
£72.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D124150-100g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 100g |
¥1750.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D124150-10g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 10g |
¥299.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D124150-1g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 1g |
¥48.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D124150-25g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 25g |
¥599.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D124150-5g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 5g |
¥189.90 | 2023-09-03 | |
| Chemenu | CM254717-100g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 95+% | 100g |
$281 | 2021-06-16 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D808540-25g |
2-(Difluoromethoxy)benzaldehyde |
71653-64-0 | 97% | 25g |
673.00 | 2021-05-17 |
2-(Difluoromethoxy)benzaldehyde Suppliers
2-(Difluoromethoxy)benzaldehyde Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 2-(Difluoromethoxy)benzaldehyde
Comprehensive Overview of 2-(Difluoromethoxy)benzaldehyde (CAS No. 71653-64-0): Properties, Applications, and Industry Trends
2-(Difluoromethoxy)benzaldehyde (CAS No. 71653-64-0) is a fluorinated aromatic aldehyde with significant relevance in pharmaceutical and agrochemical research. This compound, characterized by its difluoromethoxy substituent, has garnered attention for its unique chemical properties and versatility in synthetic applications. As the demand for fluorinated building blocks grows, this aldehyde stands out due to its role in designing bioactive molecules, particularly in drug discovery and crop protection formulations.
The molecular structure of 2-(Difluoromethoxy)benzaldehyde features a benzaldehyde core modified with a difluoromethoxy group at the ortho position. This modification enhances its electronic properties, making it a valuable intermediate for cross-coupling reactions and nucleophilic substitutions. Researchers frequently explore its reactivity in Pd-catalyzed reactions, such as Suzuki-Miyaura couplings, to construct complex fluorinated architectures. Its CAS registry number (71653-64-0) is critical for accurate literature searches and regulatory compliance.
In the pharmaceutical sector, 2-(Difluoromethoxy)benzaldehyde is employed in the synthesis of small-molecule inhibitors and protease-targeting drugs. The difluoromethoxy moiety improves metabolic stability and bioavailability, addressing key challenges in drug development. Recent studies highlight its use in kinase inhibitor design, aligning with the industry’s focus on oncology and anti-inflammatory therapies. This aligns with trending searches like "fluorine in drug design" and "improving drug half-life," reflecting broader interest in medicinal chemistry innovations.
Agrochemical applications of 2-(Difluoromethoxy)benzaldehyde leverage its ability to enhance pesticide efficacy. The compound’s lipophilicity and resistance to enzymatic degradation make it ideal for formulating next-generation herbicides. With rising global emphasis on sustainable agriculture, researchers are investigating its derivatives for low-toxicity crop protection solutions—a topic frequently queried in AI-driven literature databases.
From a synthetic chemistry perspective, this aldehyde’s regioselective reactivity enables precise functionalization, a feature highly valued in high-throughput screening workflows. Laboratories optimizing green chemistry protocols also explore solvent-free reactions involving 71653-64-0, responding to the demand for eco-friendly synthetic routes. Such trends resonate with popular search terms like "fluorine click chemistry" and "catalysis in organic synthesis."
Analytical characterization of 2-(Difluoromethoxy)benzaldehyde typically involves GC-MS, NMR spectroscopy, and HPLC purity assays. Its distinctive spectral signatures (e.g., 19F NMR shifts) facilitate quality control in industrial batches. Suppliers often highlight these technical specifications to meet GMP compliance standards, a priority for contract manufacturing organizations (CMOs).
Market analysts note increasing procurement of 71653-64-0 by custom synthesis providers, driven by its utility in patented drug intermediates. The compound’s supply chain stability is frequently discussed in chemical procurement forums, with users seeking data on bulk pricing trends and alternate synthetic routes. These discussions underscore the need for transparent technical datasheets and structure-activity relationship (SAR) studies.
In conclusion, 2-(Difluoromethoxy)benzaldehyde (CAS No. 71653-64-0) exemplifies the strategic importance of fluorinated intermediates in modern chemistry. Its dual applicability in life sciences and material innovation positions it as a compound of enduring interest, with research trajectories likely to expand in tandem with advances in precision synthesis and computational molecular design.
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