Benzoic acid - for synthesis , CAS No.65-85-0

CAS: 65-85-0 Cat. No.: B433248 分子式: C7H6O2 分子量: 122.12 Beilstein Registry Number: 636131 EC番号: 200-618-2
注文可能
グレード&純度 for Synthesis ? Synthesis grade — practical purity for chemical synthesis and preparative work. Use as a cost-effective reagent when analytical purity isn't required.
Synonyms
Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | NSC7918 | Benzenecarboxylate | Benzoic Acid 2000 microg/mL in Dichloromethane | FEMA No. 2131 | NSC 149 | Acid, Benzoic | AI3-03710 | Benzoicum Ac | CARBOXYLBENZENE | BENZOIC ACID [USP-RS]
Storage
Room temperature
Shipped In
Normal
★
サイズ
USA
ドイツ (EU)*
価格
個数
100g
B433248-100g
9 在庫あり
—
$16.90
500g
B433248-500g
受注生産 · 8~12週間
$43.90
Enter a quantity for the sizes you want to add.
🧪
このグレードを選ぶ理由

for synthesis 合成用 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 Normal 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 844 件の査読済み論文で引用されています。

仕様

同義語
Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | NSC7918 | Benzenecarboxylate | Benzoic Acid 2000 microg/mL in Dichloromethane | FEMA No. 2131 | NSC 149 | Acid, Benzoic | AI3-03710 | Benzoicum Ac | CARBOXYLBENZENE | BENZOIC ACID [USP-RS]
仕様と純度
for synthesis
保管条件
Room temperature
入荷
Normal
等級
合成用
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504750366
カノニカル・スマイル
C1=CC=C(C=C1)C(=O)O
IUPAC Name
benzoic acid
InChIKey
WPYMKLBDIGXBTP-UHFFFAOYSA-N
INCHI
1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
異性体SMILES
C1=CC=C(C=C1)C(=O)O
WGKドイツ
1
RTECS
DG0875000
UN番号
UN 1268
包装グループ
I
分子量
122.12
Beilstein
636131
Reaxy-Rn
636131
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636131&ln=

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

✅ 分析証明書(COA)

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

データシートを見る →

🔬 仕様書

このグレードの完全な品質特性と合格基準。

仕様書を見る →

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids
Alternative Parents Benzoyl derivatives  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors benzoic acids
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate Type日付商品
F2629205F2629205Certificate of AnalysisJun 17, 2026 B433248
F2629206F2629206Certificate of AnalysisJun 17, 2026 B433248
F2629238F2629238Certificate of AnalysisJun 17, 2026 B433248
F2629239F2629239Certificate of AnalysisJun 17, 2026 B433248
F2629240F2629240Certificate of AnalysisJun 17, 2026 B433248
D2318507D2318507Certificate of AnalysisFeb 05, 2026 B433248
D2318513D2318513Certificate of AnalysisFeb 05, 2026 B433248
A2612069A2612069Certificate of AnalysisApr 08, 2023 B433248
D2318493D2318493Certificate of AnalysisApr 08, 2023 B433248
D2318512D2318512Certificate of AnalysisApr 08, 2023 B433248
D2403061D2403061Certificate of AnalysisApr 08, 2023 B433248
E2520118E2520118Certificate of AnalysisApr 08, 2023 B433248
化学的性質と物理的性質
屈折率1.504
沸点(°C)249°C
融点(°C)121-125℃
分子量122.120 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.037 Da
Monoisotopic Mass122.037 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count9
Formal Charge0
Complexity103.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
よくある質問と記事
Asymmetric Organocatalysts
Proline-type Organocatalysts
“For Synthesis” grade — a clear and practical guide
How Organic Acids “Stabilize a System”: Selection Logic via the pH Window, Salt Forms, and Metal-Ion Management (with a navigation guide to Tables A–E)
β-Acyloxy Alkenyl Amides (AAAs): A New Approach to Amide Bond and Peptide Bond Construction Worth Attention
Revisiting Titanium Tetrachloride: New Advances in the Direct Amidation and Esterification of Carboxylic Acids
DAST-Mediated Amidation at Room Temperature: Method Features, Practical Value, and Scope of Applicability
Understanding ATD-DMAP: From Reagent Design to Esterification, Amidation, and Stereochemical Integrity
TCFH–NMI Amidation in Highly Aqueous Media: Research Value, Methodological Understanding, and Experimental Insights
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Reaction Roles of DBU in Different Systems: Experimental Judgment from a Strong Organic Base to Nucleophilic Catalysis and Participation in the Reaction Pathway
DMAP Is More Than Just an Organic Base: Experimental Judgment from Nucleophilic Acyl Transfer to Esterification and Macrolactonization
Experimental Selection of SEM-Cl: From O/N-SEM Protection and Directed Functionalization of N-Heterocycles to the Introduction of Protected C1 Fragments
Experimental Evaluation of Triphosgene in Organic Synthesis: Understanding Its Selection Logic Through Reaction Tasks
Triphenylphosphine-Involved Carboxylic Acid Activation and Amide Bond Formation: Activation Pathways, Anhydride Competition, and Applicability Scenarios
Enzymatic Hydroxylation Mechanism of Salicylate Conversion to Catechol
Alkyd Resins: From Oil/Fatty-Acid-Modified Polyesters to Autoxidative Drying — Understanding Their Structure and Film-Formation Mechanism
Phenolic-Modified Alkyd Resin: Performance Enhancement and Applications in Fast-Drying Industrial Coatings
Why Are Preservative Systems in Daily Chemical Products Effective? Common Types, Mechanisms of Action, and Factors Affecting Preservation Efficacy
CTSOBt Benzotriazole–Sulfonate Coupling Reagent: Carboxylic Acid Activation and Synthetic Application Value
Tea Tree Oil in Skincare: From Chemical Composition and Anti-Acne Mechanisms to Evidence Evaluation and Safe Use
Structure, Stratum Corneum Distribution, and Stratum Corneum Conditioning Mechanism of Capryloyl Salicylic Acid: Barrier Effects and Safety Evaluation
Strain Release of Azatricycloalkanes: Modular Bridge-Position Functionalization and Stereochemical Control of Three-Dimensional Bridged Aza Scaffolds
Logic for Selecting Amidation Reagents in Aqueous Media: Competing Reactions, Activated Intermediates, and Substrate Effects
Why Primary and Secondary Amines Have Difficulty Participating Directly in the Classical Mitsunobu Reaction: Mechanism, Inversion of Configuration, and Reaction Scope of BEHT-Mediated Alcohol Amination
Storage Stability and Deoxyfluorination Reactivity of ImCl[H₂F₃]—Reactivity Modulation of the H₂F₃⁻ Fluoride Source and Substrate Activation by 2-Chloroimidazolium
Rotary-Evaporation-Assisted Reversible Dehydration Reactions: Reduced-Pressure Evaporation, Removal of Volatile Components, and Equilibrium Response
Citations of This Product
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よくある質問

What does for synthesis mean?
for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 65-85-0, the molecular formula is C7H6O2, and the molecular weight is 122.12 g/mol. InChIKey WPYMKLBDIGXBTP-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.

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