Determine the necessary mass, volume, or concentration for preparing a solution.
4-Ethynyl-2-fluorobenzoic acid - ≥95% , CAS No.736117-41-2
注文可能
グレード＆純度 ≥95%
Storage
Room temperature
このグレードを選ぶ理由
≥95% ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
保管・配送
Room temperature に出荷。正確な仕様については、ロット固有の COA をご確認ください。
品質書類
SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
文献的裏付け
クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
仕様
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
C#CC1=CC(=C(C=C1)C(=O)O)F
IUPAC Name
4-ethynyl-2-fluorobenzoic acid
InChIKey
OKFQFYAGCCDDEH-UHFFFAOYSA-N
INCHI
1S/C9H5FO2/c1-2-6-3-4-7(9(11)12)8(10)5-6/h1,3-5H,(H,11,12)
異性体SMILES
C#CC1=CC(=C(C=C1)C(=O)O)F
PubChem CID
45090822
分子量
164.14
ドキュメント
📋 安全データシート（SDS）
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3詳細データ
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Acetylides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Acetylide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on 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 | 164.130 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.027 Da |
| Monoisotopic Mass | 164.027 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
ソリューション計算機
レビュー
顧客レビュー
よくある質問
What is the purity of this product?
This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 736117-41-2, the molecular formula is C9H5FO2, and the molecular weight is 164.14 g/mol. InChIKey OKFQFYAGCCDDEH-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
Remind me later
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corporation. All rights reserved.