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(2-(Ethoxymethyl)-4-fluorophenyl)boronic acid - ≥95% , CAS No.1704063-87-5
注文可能
GRADE & PURITY ≥95%
Storage
Room temperature
Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
仕様と純度
≥95%
保管条件
Room temperature
純度
≥95%
名前と識別子
カノニカル・スマイル
B(C1=C(C=C(C=C1)F)COCC)(O)O
IUPAC Name
[2-(ethoxymethyl)-4-fluorophenyl]boronic acid
InChIKey
DLLCBBRHJIFXRS-UHFFFAOYSA-N
INCHI
1S/C9H12BFO3/c1-2-14-6-7-5-8(11)3-4-9(7)10(12)13/h3-5,12-13H,2,6H2,1H3
異性体SMILES
B(C1=C(C=C(C=C1)F)COCC)(O)O
PubChem CID
91758875
分子量
198
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- 分類 Benzene and substituted derivatives
- Subclass Benzylethers
- 分類 Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Fluorobenzenes Aryl fluorides Boronic acids Organic metalloid salts Dialkyl ethers Organometalloid compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Ether - Dialkyl ether - Organic metalloid salt - Organofluoride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 198.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 198.086 Da |
| Monoisotopic Mass | 198.086 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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