Name: Benzoic acid - ACS, ≥99.5% , CAS No.65-85-0
Brand: Aladdin Scientific
SKU: B116259
Availability: InStock

仕様名前と識別子ドキュメント詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質よくある質問と記事 Citations of This Product ソリューション計算機レビュー

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このグレードを選ぶ理由

ACS, ≥99.5% ACS 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。

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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。

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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。

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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

仕様と純度

ACS, ≥99.5%

生化学的・生理学的メカニズム

Benzoic acid is a weak acid that is a precursor for the synthesis of many important organic compounds. L. monocytogens has displayed an acid adaption to the presence of Benzoic acid with a decrease in total lipid phosphorus.

保管条件

Room temperature

入荷

Normal

等級

ACS

純度

≥99.5%

名前と識別子

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

RTECS

DG0875000

UN番号

UN 1268

包装グループ

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）

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📊 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。

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🔬 仕様書

このグレードの完全な品質特性と合格基準。

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

関連ターゲット（非人間）

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

Discover Target: Mc4r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ltc4s Leukotriene C4 synthase (1 Activities)

Discover Target: Ltc4s

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Lot Number	Certificate Type	日付	商品
L2221056	Certificate of Analysis	Sep 21, 2026	B116259
L2221057	Certificate of Analysis	Sep 21, 2026	B116259
A2605005	Certificate of Analysis	Dec 22, 2025	B116259
E2621297	Certificate of Analysis	Dec 22, 2025	B116259
E2621275	Certificate of Analysis	Dec 22, 2025	B116259
H2613057	Certificate of Analysis	Dec 22, 2025	B116259
A2604289	Certificate of Analysis	Dec 22, 2025	B116259
C2209271	Certificate of Analysis	Dec 10, 2025	B116259
L2115457	Certificate of Analysis	Sep 17, 2025	B116259
H2521287	Certificate of Analysis	Jul 11, 2025	B116259
H2521285	Certificate of Analysis	Jul 11, 2025	B116259
F2123182	Certificate of Analysis	Apr 03, 2025	B116259
D2525217	Certificate of Analysis	Mar 28, 2025	B116259
B2506334	Certificate of Analysis	Dec 30, 2024	B116259
B2506323	Certificate of Analysis	Dec 30, 2024	B116259
J2412334	Certificate of Analysis	Sep 23, 2024	B116259
J2412375	Certificate of Analysis	Sep 23, 2024	B116259
E2423176	Certificate of Analysis	May 08, 2024	B116259
F23061137	Certificate of Analysis	May 19, 2023	B116259
F23061141	Certificate of Analysis	May 19, 2023	B116259
F23061128	Certificate of Analysis	May 19, 2023	B116259
G2326142	Certificate of Analysis	May 19, 2023	B116259
G2326149	Certificate of Analysis	May 19, 2023	B116259
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C2330042	Certificate of Analysis	Feb 27, 2023	B116259
C2329656	Certificate of Analysis	Feb 27, 2023	B116259
L2221055	Certificate of Analysis	Oct 11, 2022	B116259
L2221054	Certificate of Analysis	Oct 11, 2022	B116259
L2221058	Certificate of Analysis	Oct 11, 2022	B116259
L2221059	Certificate of Analysis	Oct 11, 2022	B116259
K2528118	Certificate of Analysis	Oct 11, 2022	B116259
H2223248	Certificate of Analysis	Jun 27, 2022	B116259
H2223247	Certificate of Analysis	Jun 27, 2022	B116259
H2223245	Certificate of Analysis	Jun 27, 2022	B116259
E2225001	Certificate of Analysis	Jun 04, 2022	B116259
G2205168	Certificate of Analysis	Jan 24, 2022	B116259
C2209291	Certificate of Analysis	Jan 24, 2022	B116259
C2209286	Certificate of Analysis	Jan 24, 2022	B116259

溶解度	Soluble in ethanol (100 mg/ml), water (3.5 mg/ml at 25 °C), chloroform (15 mg/ml), methanol (71.5 mg/ml), and hexane (0.9 mg/ml).
感度	Moisture sensitive.
屈折率	1.504
沸点（°C）	249°C
融点（°C）	121-125℃
分子量	122.120 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.037 Da
Monoisotopic Mass	122.037 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103.000
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

Benzoic acid - ACS, ≥99.5% , CAS No.65-85-0

保管・配送

品質書類

文献的裏付け

仕様

ドキュメント

📋 安全データシート（SDS）

✅ 分析証明書（COA）

📊 データシート

🔬 仕様書

詳細データ

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