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4-Ethoxy-2,6-difluorophenol - ≥97% , CAS No.1017779-55-3
注文可能
GRADE & PURITY ≥97%
Storage
Room temperature
Why this grade
≥97% 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
≥97%
保管条件
Room temperature
純度
≥97%
名前と識別子
| カノニカル・スマイル | CCOC1=CC(=C(C(=C1)F)O)F |
|---|---|
| IUPAC Name | 4-ethoxy-2,6-difluorophenol |
| InChIKey | OXLPDJVMIACZLM-UHFFFAOYSA-N |
| INCHI | 1S/C8H8F2O2/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3 |
| 異性体SMILES | CCOC1=CC(=C(C(=C1)F)O)F |
| PubChem CID | 46737618 |
| 分子量 | 174.15 |
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 Phenols
- Subclass 4-alkoxyphenols
- 分類 Phenols
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Phenols |
| Subclass | 4-alkoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-alkoxyphenols |
| Alternative Parents | Phenoxy compounds Phenol ethers O-fluorophenols Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-alkoxyphenol - 2-halophenol - 2-fluorophenol - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring. |
| 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 | 174.140 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.049 Da |
| Monoisotopic Mass | 174.049 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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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