2-Aminobenzaldehyde - ≥98% , CAS No.529-23-7

CAS: 529-23-7 Cat. No.: A100686 分子式: C₇H₇NO 分子量: 121.14 EC番号: 208-454-3

GRADE & PURITY ≥98%

Synonyms

AI3-52264 | Z3034936011 | 2-Aminobenzaldehyde, >=98% | ghl.PD_Mitscher_leg0.1278 | EINECS 208-454-3 | Benzaldehyde, 2-amino- | 2-Formylaniline | EG769PG2AX | m-Amino benzaldehyde | 2-ABA | InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 | Ortho aminobenzald

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Reactant for: Preparation of quinoline derivatives as antiviral agents Preparation of electroluminescent materials for OLEDs Friedlander-type synthesis Preparation of 2-tosylaminophenyl cyclopropylmethanols for gold-catalyzed cyclopropyl carbinol rearrangement Benzyl C-H bond amination of arylmethylamines catalyzed by hydroxy-TEMPO Silver-catalyzed aniline mediated cascade hydroamination/cycloaddition reactions.

Specifications

同義語

AI3-52264 | Z3034936011 | 2-Aminobenzaldehyde, >=98% | ghl.PD_Mitscher_leg0.1278 | EINECS 208-454-3 | Benzaldehyde, 2-amino- | 2-Formylaniline | EG769PG2AX | m-Amino benzaldehyde | 2-ABA | InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 | Ortho aminobenzald

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488184112

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184112

カノニカル・スマイル

C1=CC=C(C(=C1)C=O)N

IUPAC Name

2-aminobenzaldehyde

InChIKey

FXWFZIRWWNPPOV-UHFFFAOYSA-N

INCHI

1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2

異性体SMILES

C1=CC=C(C(=C1)C=O)N

WGKドイツ

3

分子量

121.14

Reaxy-Rn

507154

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Aniline and substituted anilines Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aniline or substituted anilines - Aryl-aldehyde - Vinylogous amide - Hydrocarbon derivative - Organopnictogen compound - Aldehyde - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol (25 mg/ml).
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 融点（°C）: 39-40°C
• 分子量: 121.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 43.100 Ų
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 529-23-7, the molecular formula is C7H7NO, and the molecular weight is 121.14 g/mol. InChIKey FXWFZIRWWNPPOV-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.